Geometry & MOs

Info

ID:	235590
PubChem CID:	92710109
Reduced:	ClFON2H18C20 (1)
Stoich.:	ABCD2E18F20 (1)
Weight, g/mol:	356.109169
ΔH_f, kcal/mol:	-33.29
Dipole, Da:	4.57
IP(EA), eV:	-8.74(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(2-chloro-4-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@H](CC(=O)NC2=C(C=C(C=C2)Cl)F)N3C=CC=C3

DOS

IR

Vibrations