Geometry & MOs

Info

ID:	258344
PubChem CID:	103153082
Reduced:	SN2O4C12H16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-148.3
Dipole, Da:	8.46
IP(EA), eV:	-8.7(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=C(N=CC=C1)SC

DOS

IR

Vibrations