Geometry & MOs

Info

ID:	161024
PubChem CID:	57390548
Reduced:	ClFSO2N4H14C20 (1)
Stoich.:	ABCD2E4F14G20 (1)
Weight, g/mol:	425.034938
ΔH_f, kcal/mol:	-25.11
Dipole, Da:	7.45
IP(EA), eV:	-8.79(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloroanilino)-N-(6-nitro-1,3-benzothiazol-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N=CC=C3)NC4=CC(=C(C=C4)Cl)F

DOS

IR

Vibrations