Geometry & MOs

Info

ID:	243834
PubChem CID:	99247161
Reduced:	ClO2N3C22H26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	365.140927
ΔH_f, kcal/mol:	-60.09
Dipole, Da:	5.64
IP(EA), eV:	-9.25(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(2R)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-nitrophenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)CN2CCN(CC2)C(=O)CCC3=CC=CC=C3

DOS

IR

Vibrations