Geometry & MOs

Info

ID:	59774
PubChem CID:	24896606
Reduced:	ClO2N4C30H39 (1)
Stoich.:	AB2C4D30E39 (1)
Weight, g/mol:	1094.427315
ΔH_f, kcal/mol:	-43.4
Dipole, Da:	1.39
IP(EA), eV:	-8.51(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate;6-phenylmethoxy-7H-purin-2-amine

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C.CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC[C@H]1[C@H](COC1=O)CC2=CN=CN2C.CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):