Geometry & MOs

Info

ID:	26872
PubChem CID:	801029
Reduced:	ClOSN2H13C18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	346.029125
ΔH_f, kcal/mol:	27.87
Dipole, Da:	5.5
IP(EA), eV:	-8.89(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chloro-3-nitrophenyl)methylideneamino]-3-methyl-1,3-benzothiazol-2-imine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=S)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations