Geometry & MOs

Info

ID:	235589
PubChem CID:	92710103
Reduced:	NOC11H12 (2)
Stoich.:	ABC11D12 (2)
Weight, g/mol:	356.109169
ΔH_f, kcal/mol:	-22.83
Dipole, Da:	2.64
IP(EA), eV:	-8.74(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C[C@H](C2=CC=CC(=C2)C)N3C=CC=C3

DOS

IR

Vibrations