Geometry & MOs

Info

ID:	139123
PubChem CID:	52476748
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	334.004261
ΔH_f, kcal/mol:	-40.72
Dipole, Da:	4.75
IP(EA), eV:	-8.69(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-(2,4,5-trichlorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=NN=C1SC)CCCNC(=O)CCC(=O)C2=CC=CC=C2

DOS

IR

Vibrations