Geometry & MOs

Info

ID:	64431
PubChem CID:	29200562
Reduced:	N2O2S3H12C14 (1)
Stoich.:	A2B2C3D12E14 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-11.88
Dipole, Da:	4.56
IP(EA), eV:	-8.63(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)CSC1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1C

DOS

IR

Vibrations