Geometry & MOs

Info

ID:	177230
PubChem CID:	76148810
Reduced:	O2F3N3C22H22 (1)
Stoich.:	A2B3C3D22E22 (1)
Weight, g/mol:	341.015639
ΔH_f, kcal/mol:	-186.07
Dipole, Da:	7.06
IP(EA), eV:	-8.9(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dichloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C2=NC3=CC=CC=C3O2)CNC(=O)CCC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations