Geometry & MOs

Info

ID:	62622
PubChem CID:	26725299
Reduced:	ClFSN2O2H12C17 (1)
Stoich.:	ABCD2E2F12G17 (1)
Weight, g/mol:	391.019368
ΔH_f, kcal/mol:	-44.34
Dipole, Da:	3.44
IP(EA), eV:	-9.14(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-nitrobenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations