Geometry & MOs

Info

ID:	182780
PubChem CID:	76937936
Reduced:	SO2N3C13H19 (1)
Stoich.:	AB2C3D13E19 (1)
Weight, g/mol:	284.083078
ΔH_f, kcal/mol:	-77.25
Dipole, Da:	4.7
IP(EA), eV:	-8.68(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-aminopropylsulfamoyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)SCC(C2=CC(=CC=C2)N)O

DOS

IR

Vibrations