Geometry & MOs

Info

ID:	85959
PubChem CID:	49880644
Reduced:	ClSO2N3H18C19 (1)
Stoich.:	ABC2D3E18F19 (1)
Weight, g/mol:	426.136176
ΔH_f, kcal/mol:	9.2
Dipole, Da:	4.76
IP(EA), eV:	-9.05(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)-2-[[4-methyl-5-(3-methyl-2H-1,4-benzodioxin-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1(COC2=CC=CC=C2O1)C3=NN=C(N3C)SCC4=CC=CC=C4Cl

DOS

IR

Vibrations