Geometry & MOs

Info

ID:	21067
PubChem CID:	587072
Reduced:	ClSN2O3H11C16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	346.017891
ΔH_f, kcal/mol:	-52.46
Dipole, Da:	7.0
IP(EA), eV:	-9.35(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2-chlorobenzoyl)amino]-1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations