Geometry & MOs

Info

ID:	179518
PubChem CID:	76492709
Reduced:	SN3O8C26H31 (1)
Stoich.:	AB3C8D26E31 (1)
Weight, g/mol:	300.20893
ΔH_f, kcal/mol:	-267.33
Dipole, Da:	6.41
IP(EA), eV:	-9.27(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,10,13-trimethyl-4,6,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2C=C(NO2)S(=O)(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C

DOS

IR

Vibrations