Geometry & MOs

Info

ID:	54883
PubChem CID:	17389478
Reduced:	NSO9H13C22 (1)
Stoich.:	ABC9D13E22 (1)
Weight, g/mol:	450.045647
ΔH_f, kcal/mol:	-271.75
Dipole, Da:	8.84
IP(EA), eV:	-9.94(-2.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrophenyl)-N-[2-[(4-nitrophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]methanimine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=C(C=C4)C(=O)O)O

DOS

IR

Vibrations