Geometry & MOs

Info

ID:	182558
PubChem CID:	76906432
Reduced:	SN2O4H12C14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-85.83
Dipole, Da:	4.31
IP(EA), eV:	-9.32(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NS(=O)(=O)C2=CN=CC=C2)C=CC(=O)O

DOS

IR

Vibrations