Geometry & MOs

Info

ID:	86168
PubChem CID:	49882251
Reduced:	SO3N4C26H30 (1)
Stoich.:	AB3C4D26E30 (1)
Weight, g/mol:	605.176661
ΔH_f, kcal/mol:	-35.33
Dipole, Da:	2.32
IP(EA), eV:	-8.79(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3CC=C)SC(C)C(=O)NC4=C(C=C(C=C4C)C)C

DOS

IR

Vibrations