Geometry & MOs

Info

ID:	258332
PubChem CID:	103152991
Reduced:	NO4C9H15 (1)
Stoich.:	AB4C9D15 (1)
Weight, g/mol:	331.037813
ΔH_f, kcal/mol:	-163.64
Dipole, Da:	7.14
IP(EA), eV:	-9.98(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(E)-3-(2,5-dichlorophenyl)prop-2-enoyl]amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1CC1

DOS

IR

Vibrations