Geometry & MOs

Info

ID:	135009
PubChem CID:	51796292
Reduced:	ClN3O4C23H26 (1)
Stoich.:	AB3C4D23E26 (1)
Weight, g/mol:	447.22887
ΔH_f, kcal/mol:	-140.3
Dipole, Da:	6.38
IP(EA), eV:	-9.55(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-chlorophenyl)-5-oxo-N-[(Z,2S)-1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)pent-3-en-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@H](C2=CC=CO2)N(C3=CC(=CC=C3)Cl)C(=O)[C@@H]4CCC(=O)N4

DOS

IR

Vibrations