Geometry & MOs

Info

ID:	218243
PubChem CID:	85089078
Reduced:	O4N5C23H31 (1)
Stoich.:	A4B5C23D31 (1)
Weight, g/mol:	441.178536
ΔH_f, kcal/mol:	-144.01
Dipole, Da:	5.45
IP(EA), eV:	-9.1(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC(CC1=CC=CC=C1)C(=O)NCC(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)N

DOS

IR

Vibrations