Geometry & MOs

Info

ID:	140192
PubChem CID:	52660003
Reduced:	ClFO2N4C22H27 (1)
Stoich.:	ABC2D4E22F27 (1)
Weight, g/mol:	432.172832
ΔH_f, kcal/mol:	-98.32
Dipole, Da:	2.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.127586
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

Drug info:

PubChemData

Smile

C1CC[NH+](C1)[C@H](CNC(=O)CNC(=O)NCC2=CC=C(C=C2)F)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations