Geometry & MOs

Info

ID:	228117
PubChem CID:	87563479
Reduced:	O5C7H14 (1)
Stoich.:	A5B7C14 (1)
Weight, g/mol:	407.233468
ΔH_f, kcal/mol:	-234.0
Dipole, Da:	2.02
IP(EA), eV:	-10.17(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3S)-3-(1-benzyl-2-oxopyrrolidin-1-ium-1-yl)-N-(2-methylpropyl)-2-oxo-4-phenylbutanamide

Drug info:

PubChemData

Smile

C(CO)COCCCOC(=O)O

DOS

IR

Vibrations