Geometry & MOs

Info

ID:	39491
PubChem CID:	8140990
Reduced:	ClN3O4H18C20 (1)
Stoich.:	AB3C4D18E20 (1)
Weight, g/mol:	359.049526
ΔH_f, kcal/mol:	-118.61
Dipole, Da:	7.06
IP(EA), eV:	-8.77(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)CC(=O)NC1=CC=C(C=C1)Cl)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations