Geometry & MOs

Info

ID:	134534
PubChem CID:	51711784
Reduced:	ON3C17H33 (1)
Stoich.:	AB3C17D33 (1)
Weight, g/mol:	368.282764
ΔH_f, kcal/mol:	-51.89
Dipole, Da:	10.62
IP(EA), eV:	-6.79(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-3,4-dimethyl-1-[(2S)-4-phenylbutan-2-yl]-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC[NH+]1CCC(CC1)N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2

DOS

IR

Vibrations