Geometry & MOs

Info

ID:	86367
PubChem CID:	49884609
Reduced:	SO3N4C25H30 (1)
Stoich.:	AB3C4D25E30 (1)
Weight, g/mol:	475.098411
ΔH_f, kcal/mol:	-46.3
Dipole, Da:	7.55
IP(EA), eV:	-8.62(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=CC=C1C(C)C)SC2=NN=C(N2C)C3C(OC4=CC=CC=C4O3)C

DOS

IR

Vibrations