Geometry & MOs

Info

ID:	235610
PubChem CID:	92710157
Reduced:	ClON2H19C20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	326.123069
ΔH_f, kcal/mol:	17.77
Dipole, Da:	4.11
IP(EA), eV:	-8.88(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(2,4-difluorophenyl)-3-phenyl-3-pyrrol-1-ylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](CC(=O)NCC2=CC=C(C=C2)Cl)N3C=CC=C3

DOS

IR

Vibrations