Geometry & MOs

Info

ID:	307134
PubChem CID:	125270105
Reduced:	N2O5C12H18 (1)
Stoich.:	A2B5C12D18 (1)
Weight, g/mol:	312.172545
ΔH_f, kcal/mol:	-187.6
Dipole, Da:	4.34
IP(EA), eV:	-10.13(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,8S,9R,10R,13S,14R)-10,13-dimethylspiro[7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-6,2'-oxirane]-3,17-dione

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)O)NC(=O)CCC1=CC(=O)NO1

DOS

IR

Vibrations