Geometry & MOs

Info

ID:	178462
PubChem CID:	76332706
Reduced:	OSN5C28H37 (1)
Stoich.:	ABC5D28E37 (1)
Weight, g/mol:	290.22458
ΔH_f, kcal/mol:	20.14
Dipole, Da:	1.63
IP(EA), eV:	-8.58(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,8R,9S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CCCN(CCN1CCN(CC1)C2=C(C=C(C=C2)C3=CC=CC=C3)O)C4CCC5=C(C4)SC(=N5)N

DOS

IR

Vibrations