Geometry & MOs

Info

ID:	139340
PubChem CID:	52512783
Reduced:	ClO3N5H20C23 (1)
Stoich.:	AB3C5D20E23 (1)
Weight, g/mol:	378.121355
ΔH_f, kcal/mol:	-38.51
Dipole, Da:	6.7
IP(EA), eV:	-9.04(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-4-oxo-4-thiophen-2-ylbutanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CN2C(=O)[C@@]3(CCC4=CC=CC=C43)NC2=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations