Geometry & MOs

Info

ID:	132775
PubChem CID:	51418773
Reduced:	N2O4H8C11 (1)
Stoich.:	A2B4C8D11 (1)
Weight, g/mol:	438.204239
ΔH_f, kcal/mol:	-65.46
Dipole, Da:	2.62
IP(EA), eV:	-9.2(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8R,9S,11R,13R,14R,17S)-3,17-diacetyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-11-yl] acetate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2C(=CC(=O)N=C2[O-])[O-]

DOS

IR

Vibrations