Geometry & MOs

Info

ID:	147316
PubChem CID:	53786972
Reduced:	OSN4C17H24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	306.219495
ΔH_f, kcal/mol:	13.72
Dipole, Da:	4.47
IP(EA), eV:	-7.88(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethoxy-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CN1CCSC1=NC(=NC2=CC=C(C=C2)OC)N3CCCCC3

DOS

IR

Vibrations