Geometry & MOs

Info

ID:	162556
PubChem CID:	57395054
Reduced:	ClN2H5C6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	458.000717
ΔH_f, kcal/mol:	80.64
Dipole, Da:	2.81
IP(EA), eV:	-9.2(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]-6-nitro-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1CN=C(N1)C2=CN(N=C2)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations