Geometry & MOs

Info

ID:	86053
PubChem CID:	49881360
Reduced:	SO3N4C30H32 (1)
Stoich.:	AB3C4D30E32 (1)
Weight, g/mol:	593.140276
ΔH_f, kcal/mol:	-17.75
Dipole, Da:	2.32
IP(EA), eV:	-8.78(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)SC2=NN=C(N2C3=CC=CC=C3)C4(COC5=CC=CC=C5O4)C

DOS

IR

Vibrations