Geometry & MOs

Info

ID:	235468
PubChem CID:	92709734
Reduced:	OSN2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	336.163791
ΔH_f, kcal/mol:	24.7
Dipole, Da:	2.87
IP(EA), eV:	-8.76(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(3-fluoro-4-methylphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H](CC(=O)NCC2=CC=CS2)N3C=CC=C3

DOS

IR

Vibrations