Geometry & MOs

Info

ID:	161518
PubChem CID:	57391876
Reduced:	F2N6O7C24H28 (1)
Stoich.:	A2B6C7D24E28 (1)
Weight, g/mol:	714.304012
ΔH_f, kcal/mol:	-298.04
Dipole, Da:	9.84
IP(EA), eV:	-9.24(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3R,4S,5S,7R,8R,9R,10R,11S,14R)-2,7-diacetyloxy-8-benzoyloxy-5,9-dimethyl-4-propanoyloxy-11-prop-1-en-2-yl-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] benzoate

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

CCN1CCC(CC1)CC(=O)NC2=NNC3=NN=C(C=C32)C4=C(C(=CC=C4)F)F.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

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

CCN1CCC(CC1)CC(=O)NC2=NNC3=NN=C(C=C32)C4=C(C(=CC=C4)F)F.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):