Geometry & MOs

Info

ID:	231102
PubChem CID:	87572643
Reduced:	PC2O4H6 (2)
Stoich.:	AB2C4D6 (2)
Weight, g/mol:	450.264921
ΔH_f, kcal/mol:	-498.18
Dipole, Da:	5.13
IP(EA), eV:	-10.53(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,4R,8R,9S,10R,13S,14S)-4-ethyl-10,13-dimethyl-3-[(3R)-pyrrolidin-3-yl]oxyimino-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione;hydrochloride

Drug info:

PubChemData

Smile

CC(CCOP(=O)(O)OP(=O)(O)O)O

DOS

IR

Vibrations