Geometry & MOs

Info

ID:	238950
PubChem CID:	93165766
Reduced:	SO2N3C26H33 (1)
Stoich.:	AB2C3D26E33 (1)
Weight, g/mol:	386.06299
ΔH_f, kcal/mol:	-76.27
Dipole, Da:	1.01
IP(EA), eV:	-8.46(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-benzyl-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1CCCCN1C(=O)[C@H]2CS[C@@H](N2C(=O)NC3=CC(=C(C=C3)C)C)C4=CC=C(C=C4)C

DOS

IR

Vibrations