Geometry & MOs

Info

ID:	321687
PubChem CID:	126666795
Reduced:	O2N5H21C22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	372.266445
ΔH_f, kcal/mol:	62.0
Dipole, Da:	4.85
IP(EA), eV:	-9.41(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;4-methylpentan-2-one

Drug info:

PubChemData

Smile

CC[C@@H]1C[C@@H](CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)C#N)CC5=NOC=C5

DOS

IR

Vibrations