Geometry & MOs

Info

ID:	233686
PubChem CID:	92092856
Reduced:	N3O3H19C20 (1)
Stoich.:	A3B3C19D20 (1)
Weight, g/mol:	349.124883
ΔH_f, kcal/mol:	-22.87
Dipole, Da:	5.08
IP(EA), eV:	-8.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzylsulfanyl-N-[(2-pyridin-4-ylpyridin-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCC(=O)NCC2=C(N=CC=C2)C3=CC=NC=C3

DOS

IR

Vibrations