Geometry & MOs

Info

ID:	182312
PubChem CID:	76873982
Reduced:	O3N4C14H20 (1)
Stoich.:	A3B4C14D20 (1)
Weight, g/mol:	270.031043
ΔH_f, kcal/mol:	-97.91
Dipole, Da:	6.75
IP(EA), eV:	-8.56(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-(3-sulfamoylanilino)but-2-enoic acid

Drug info:

PubChemData

Smile

CN1C(C(C(=O)NC1=O)NCCCOC2=CC=CC=C2)N

DOS

IR

Vibrations