Geometry & MOs

Info

ID:	235469
PubChem CID:	92709736
Reduced:	FON2C21H21 (1)
Stoich.:	ABC2D21E21 (1)
Weight, g/mol:	356.109169
ΔH_f, kcal/mol:	-33.03
Dipole, Da:	3.41
IP(EA), eV:	-8.8(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C[C@H](C2=CC=CC=C2C)N3C=CC=C3)F

DOS

IR

Vibrations