Geometry & MOs

Info

ID:	259723
PubChem CID:	103173037
Reduced:	SO4C15H16 (1)
Stoich.:	AB4C15D16 (1)
Weight, g/mol:	360.132136
ΔH_f, kcal/mol:	-124.08
Dipole, Da:	2.1
IP(EA), eV:	-8.87(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dimethoxypyridin-2-yl)-2-(phenylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CC1=CSC(=C1C2=CC(=CC(=C2)OC)OC)C(=O)OC

DOS

IR

Vibrations