Geometry & MOs

Info

ID:	217758
PubChem CID:	85088334
Reduced:	ClNS2O6C14H18 (1)
Stoich.:	ABC2D6E14F18 (1)
Weight, g/mol:	396.14337
ΔH_f, kcal/mol:	-232.55
Dipole, Da:	4.49
IP(EA), eV:	-9.56(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[1-[(4-carboxyphenyl)diazenyl]-4-methyl-2-oxopentylidene]hydrazinyl]benzoic acid

Drug info:

PubChemData

Smile

CCCCSC(=O)C1=C(CS(=O)(=O)C2N1C(=O)C2Cl)COC(=O)C

DOS

IR

Vibrations