Geometry & MOs

Info

ID:	235444
PubChem CID:	92708962
Reduced:	ClFOSN2H14C17 (1)
Stoich.:	ABCDE2F14G17 (1)
Weight, g/mol:	352.134241
ΔH_f, kcal/mol:	-18.13
Dipole, Da:	1.8
IP(EA), eV:	-8.99(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(4-chlorophenyl)methyl]-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide

Drug info:

PubChemData

Smile

C1=CN(C=C1)[C@H](CC(=O)NC2=C(C=C(C=C2)Cl)F)C3=CC=CS3

DOS

IR

Vibrations