Geometry & MOs

Info

ID:	213457
PubChem CID:	81063812
Reduced:	SN2O4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	259.141973
ΔH_f, kcal/mol:	-175.74
Dipole, Da:	4.69
IP(EA), eV:	-9.6(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(4-ethoxy-4-oxobutanoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CNC(=O)C1=CC=C(S1)C

DOS

IR

Vibrations