Geometry & MOs

Info

ID:	126605
PubChem CID:	50969789
Reduced:	OSN5C15H21 (1)
Stoich.:	ABC5D15E21 (1)
Weight, g/mol:	368.14193
ΔH_f, kcal/mol:	16.17
Dipole, Da:	7.16
IP(EA), eV:	-8.98(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(pyridin-2-ylmethylamino)-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC=CS1)NCC2=NNC3=C2CCCCC3

DOS

IR

Vibrations