Geometry & MOs

Info

ID:	213283
PubChem CID:	81063332
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-125.44
Dipole, Da:	2.04
IP(EA), eV:	-8.71(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(4-prop-2-enoxybenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CC=CC(=C1)CSC

DOS

IR

Vibrations