Geometry & MOs

Info

ID:	261409
PubChem CID:	103231387
Reduced:	NSO4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	259.016684
ΔH_f, kcal/mol:	-158.2
Dipole, Da:	5.3
IP(EA), eV:	-9.96(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-4-(2,5-dichloroanilino)-2-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1NCC2=CC=C(C=C2)CC(=O)O

DOS

IR

Vibrations