Geometry & MOs

Info

ID:	50012
PubChem CID:	11538756
Reduced:	S2O3N4H12C19 (1)
Stoich.:	A2B3C4D12E19 (1)
Weight, g/mol:	408.266445
ΔH_f, kcal/mol:	12.48
Dipole, Da:	8.23
IP(EA), eV:	-8.89(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,4bR,6aR,11aR,11bS,13aR)-1,1,4a,6a,9,11b-hexamethyl-3,4,4b,5,6,11,11a,12,13,13a-decahydroindeno[2,1-a]phenanthrene-2,7,10-trione

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2C3N4C(=NC5=C4C6=NSN=C6C=C5)CS3)O

DOS

IR

Vibrations