Geometry & MOs

Info

ID:	227996
PubChem CID:	87563200
Reduced:	BrSO3H7C8 (1)
Stoich.:	ABC3D7E8 (1)
Weight, g/mol:	604.047104
ΔH_f, kcal/mol:	-103.04
Dipole, Da:	5.96
IP(EA), eV:	-9.66(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-dinitrophenyl)-N-[4-[[4-[(2,4-dinitrophenyl)methylideneamino]phenyl]disulfanyl]phenyl]methanimine

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Br)C(=O)O)O)CS

DOS

IR

Vibrations