Geometry & MOs

Info

ID:	175408
PubChem CID:	75899809
Reduced:	SN3O3C16H25 (1)
Stoich.:	AB3C3D16E25 (1)
Weight, g/mol:	440.16306
ΔH_f, kcal/mol:	-119.37
Dipole, Da:	6.08
IP(EA), eV:	-8.81(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[1-[[5-(6-methylpyridin-2-yl)-1H-1,2,4-triazol-3-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CCN1CCCCC1CNC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations