Geometry & MOs

Info

ID:	134536
PubChem CID:	51711800
Reduced:	ON2C24H37 (1)
Stoich.:	AB2C24D37 (1)
Weight, g/mol:	368.282764
ΔH_f, kcal/mol:	-42.55
Dipole, Da:	4.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.887289
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H]([C@@H]1C)[NH2+][C@@H]2C(=C(C(=O)N2[C@@H](C)CCC3=CC=CC=C3)C)C

DOS

IR

Vibrations