Geometry & MOs

Info

ID:	43044
PubChem CID:	10318093
Reduced:	FSO2N4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	388.038148
ΔH_f, kcal/mol:	-59.05
Dipole, Da:	6.63
IP(EA), eV:	-9.16(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-amino-5-[(2,6-dichlorophenyl)methoxy]pyridin-3-yl]benzoic acid

Drug info:

PubChemData

Smile

CCNC(=O)OCC1=C(C=CC=C1SC2=CN3C(=NN=C3C(C)C)C=C2)F

DOS

IR

Vibrations