Geometry & MOs

Info

ID:	219298
PubChem CID:	85098597
Reduced:	O7N9C37H59 (1)
Stoich.:	A7B9C37D59 (1)
Weight, g/mol:	388.243602
ΔH_f, kcal/mol:	-321.05
Dipole, Da:	5.75
IP(EA), eV:	-8.92(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-methyl-7-(6-sulfanylhexyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC(CC1CCCCC1)C(=O)N2CCC2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCCN=C(N)N)C(=O)N)NC(=O)C

DOS

IR

Vibrations