Geometry & MOs

Info

ID:	141247
PubChem CID:	52845906
Reduced:	ON4C21H29 (1)
Stoich.:	AB4C21D29 (1)
Weight, g/mol:	417.095869
ΔH_f, kcal/mol:	18.2
Dipole, Da:	5.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.125947
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-4,5-difluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

Drug info:

PubChemData

Smile

CCCN([C@H]1CCC[NH+](C1)CC2=CC=CC=C2)C(=O)C3=NC=C(N=C3)C

DOS

IR

Vibrations