Geometry & MOs

Info

ID:	140188
PubChem CID:	52659915
Reduced:	SN2O4C21H34 (1)
Stoich.:	AB2C4D21E34 (1)
Weight, g/mol:	450.16341
ΔH_f, kcal/mol:	-176.09
Dipole, Da:	10.78
IP(EA), eV:	-9.08(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide

Drug info:

PubChemData

Smile

CCCCN([C@@H]1CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)OCCN(CC)CC

DOS

IR

Vibrations