Geometry & MOs

Info

ID:	258359
PubChem CID:	103153196
Reduced:	NCl2O4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	257.072179
ΔH_f, kcal/mol:	-183.18
Dipole, Da:	6.72
IP(EA), eV:	-9.99(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[(3-methylthiophene-2-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)CC1=C(C=C(C=C1)Cl)Cl

DOS

IR

Vibrations