Geometry & MOs

Info

ID:	86283
PubChem CID:	49883766
Reduced:	SO3N4C17H20 (1)
Stoich.:	AB3C4D17E20 (1)
Weight, g/mol:	474.112854
ΔH_f, kcal/mol:	-43.51
Dipole, Da:	2.66
IP(EA), eV:	-8.81(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]butanamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)N2CCCC2)C3COC4=CC=CC=C4O3

DOS

IR

Vibrations