Geometry & MOs

Info

ID:	184491
PubChem CID:	77168698
Reduced:	SN4O7C22H30 (1)
Stoich.:	AB4C7D22E30 (1)
Weight, g/mol:	653.294845
ΔH_f, kcal/mol:	-227.5
Dipole, Da:	3.6
IP(EA), eV:	-8.12(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

formamide;methyl 6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)C3CC(CCC3N=C2C4=CN=C(N=C4)N(C)C)O)OC.OS(=O)(=O)O

DOS

IR

Vibrations