Geometry & MOs

Info

ID:	235584
PubChem CID:	92710095
Reduced:	OSN2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	336.163791
ΔH_f, kcal/mol:	23.27
Dipole, Da:	3.8
IP(EA), eV:	-8.66(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(3-fluoro-4-methylphenyl)-3-(3-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