Geometry & MOs

Info

ID:	235443
PubChem CID:	92708958
Reduced:	OSF2N2H14C17 (1)
Stoich.:	ABC2D2E14F17 (1)
Weight, g/mol:	348.04994
ΔH_f, kcal/mol:	-55.4
Dipole, Da:	4.03
IP(EA), eV:	-9.02(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN(C=C1)[C@H](CC(=O)NC2=CC(=C(C=C2)F)F)C3=CC=CS3

DOS

IR

Vibrations