Geometry & MOs

Info

ID:	319730
PubChem CID:	126657130
Reduced:	N3O3C28H33 (1)
Stoich.:	A3B3C28D33 (1)
Weight, g/mol:	406.115127
ΔH_f, kcal/mol:	-74.21
Dipole, Da:	4.75
IP(EA), eV:	-8.21(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-(4-fluorophenyl)sulfanyl-3,4-dihydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C1=CC=C(C=C1)C2CCOCC2)C3=CC4=C(C=C3)[C@@H](CC4)CNC5=C(C=CN=C5)C(O)O

DOS

IR

Vibrations