Geometry & MOs

Info

ID:	157371
PubChem CID:	56423132
Reduced:	NO2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	410.141262
ΔH_f, kcal/mol:	-70.17
Dipole, Da:	3.39
IP(EA), eV:	-8.81(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide

Drug info:

PubChemData

Smile

C1COC2=C(C=CC=C2O1)CNC(=O)C3=CC(=CC=C3)OCC4=CN=CC=C4

DOS

IR

Vibrations