Geometry & MOs

Info

ID:	218165
PubChem CID:	85088978
Reduced:	O2N3H25C28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	435.171559
ΔH_f, kcal/mol:	35.35
Dipole, Da:	8.9
IP(EA), eV:	-9.35(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methoxy-6a-methyl-7-oxo-4b,5,6,8,9,10,10a,10b,11,12-decahydrochrysen-2-yl) N-acetylsulfamate

Drug info:

PubChemData

Smile

CC(=CC#N)NC(=O)C1(C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C

DOS

IR

Vibrations