Geometry & MOs

Info

ID:	184566
PubChem CID:	77175906
Reduced:	SF3O3N4C20H29 (1)
Stoich.:	AB3C3D4E20F29 (1)
Weight, g/mol:	356.069448
ΔH_f, kcal/mol:	-266.26
Dipole, Da:	7.11
IP(EA), eV:	-8.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-[4-chloro-3-(pyridin-2-ylmethoxy)phenyl]butanoic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)NC3=NC=C(C(=N3)C(F)(F)F)C(=O)N4CCS(CC4)(O)O)C)C

DOS

IR

Vibrations