Geometry & MOs

Info

ID:	218481
PubChem CID:	85089518
Reduced:	SN2O7C22H36 (1)
Stoich.:	AB2C7D22E36 (1)
Weight, g/mol:	472.170179
ΔH_f, kcal/mol:	-326.4
Dipole, Da:	4.39
IP(EA), eV:	-8.74(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6a-ethyl-3-methoxy-7-sulfamoyl-5,6,7,8,9,10,10a,10b,11,12-decahydro-4bH-chrysen-2-yl) sulfamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCCCCOC1=CC=C(C=C1)CC(C(=O)OC)NS(=O)(=O)C

DOS

IR

Vibrations