Geometry & MOs

Info

ID:	319072
PubChem CID:	126654443
Reduced:	SN6O6C41H56 (1)
Stoich.:	AB6C6D41E56 (1)
Weight, g/mol:	211.084458
ΔH_f, kcal/mol:	-190.08
Dipole, Da:	10.96
IP(EA), eV:	-7.51(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-propoxypyridin-3-yl)oxyacetic acid

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCC(=O)N4CCN(CC4)C5=CC=C(C=C5)C(C)C)O

DOS

IR

Vibrations