Geometry & MOs

Info

ID:	337957
PubChem CID:	127258580
Reduced:	ClNO3H16C17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	312.077993
ΔH_f, kcal/mol:	-75.6
Dipole, Da:	6.96
IP(EA), eV:	-8.91(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-2-phenylethenyl]sulfonylcarbamoylamino]butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C\2/C=CC(=CC2=O)Cl)/NCCCC(=O)O

DOS

IR

Vibrations