Geometry & MOs

Info

ID:	127937
PubChem CID:	51024069
Reduced:	O8H26C27 (1)
Stoich.:	A8B26C27 (1)
Weight, g/mol:	570.282883
ΔH_f, kcal/mol:	-286.19
Dipole, Da:	4.51
IP(EA), eV:	-9.51(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S,4R,6R,9R,10R,11R,12R,14R,15R)-12,14-diacetyloxy-6-(furan-3-yl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-10-yl]ethyl acetate

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

C1[C@H]([C@H]2[C@H]3[C@@H]([C@]1(O2)COC(=O)C4=CC=CC=C4)C(=O)OC3=O)COC(=O)CCCC5=CC=CC=C5

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

C1[C@H]([C@H]2[C@H]3[C@@H]([C@]1(O2)COC(=O)C4=CC=CC=C4)C(=O)OC3=O)COC(=O)CCCC5=CC=CC=C5

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):