Geometry & MOs

Info

ID:	31792
PubChem CID:	3718267
Reduced:	N3O5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	456.08116
ΔH_f, kcal/mol:	-234.44
Dipole, Da:	3.06
IP(EA), eV:	-9.11(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(4-chlorophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=CC=CC=C1NC(=O)NC2CCN(CC2)C(=O)OCC

DOS

IR

Vibrations