Geometry & MOs

Info

ID:	225628
PubChem CID:	87219074
Reduced:	SN3O4C28H35 (1)
Stoich.:	AB3C4D28E35 (1)
Weight, g/mol:	422.187543
ΔH_f, kcal/mol:	-132.66
Dipole, Da:	7.09
IP(EA), eV:	-8.62(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4bS,6aS,10aS,10bS,12E)-6a-ethyl-12-hydroxyimino-3-methoxy-4b,5,6,7,8,9,10,10a,10b,11-decahydrochrysen-2-yl] sulfamate

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)NC1=NC=C(S1)C2=CC=CC=C2COC3=CC=CC=C3)NC(=O)[C@@H](C(CC)CC)O

DOS

IR

Vibrations