Geometry & MOs

Info

ID:	182817
PubChem CID:	76940435
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	159.089543
ΔH_f, kcal/mol:	-55.13
Dipole, Da:	6.47
IP(EA), eV:	-9.06(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-hydroxyethyl(methyl)amino]but-2-enoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)CCCNCC=CC1=CC=CC=C1

DOS

IR

Vibrations