Geometry & MOs

Info

ID:	298794
PubChem CID:	117656901
Reduced:	PC2S3H9 (1)
Stoich.:	AB2C3D9 (1)
Weight, g/mol:	233.068808
ΔH_f, kcal/mol:	-61.29
Dipole, Da:	4.85
IP(EA), eV:	-8.9(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(Z)-but-2-enylidene]amino]terephthalic acid

Drug info:

PubChemData

Smile

CP(C)(S)(S)S

DOS

IR

Vibrations