Geometry & MOs

Info

ID:	213653
PubChem CID:	81064497
Reduced:	SO3N4C13H20 (1)
Stoich.:	AB3C4D13E20 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-79.39
Dipole, Da:	7.48
IP(EA), eV:	-9.3(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CSC1=NN=CN1C2CC2

DOS

IR

Vibrations