Geometry & MOs

Info

ID:	60948
PubChem CID:	26703432
Reduced:	S2N3O5C19H19 (1)
Stoich.:	A2B3C5D19E19 (1)
Weight, g/mol:	370.144806
ΔH_f, kcal/mol:	-43.5
Dipole, Da:	3.25
IP(EA), eV:	-9.16(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2-oxopyrrolidin-1-yl)-N-[(2R)-2-phenylbutyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)/C=C/SC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations