Geometry & MOs

Info

ID:	27772
PubChem CID:	823490
Reduced:	OCl2N2H8C14 (1)
Stoich.:	AB2C2D8E14 (1)
Weight, g/mol:	305.075346
ΔH_f, kcal/mol:	61.08
Dipole, Da:	4.14
IP(EA), eV:	-9.51(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-chlorophenyl)ethylideneamino]-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=C(C=C3)Cl)Cl

DOS

IR

Vibrations