Geometry & MOs

Info

ID:	64951
PubChem CID:	29204243
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	329.119798
ΔH_f, kcal/mol:	-77.43
Dipole, Da:	4.15
IP(EA), eV:	-8.66(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(dimethylamino)-2-oxoethyl]sulfanyl-N-(pyridin-3-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)C(=O)NCC2=CN=CC=C2

DOS

IR

Vibrations