Geometry & MOs

Info

ID:	85956
PubChem CID:	49880637
Reduced:	SN3O4H19C24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	541.124232
ΔH_f, kcal/mol:	-28.26
Dipole, Da:	6.37
IP(EA), eV:	-8.81(-1.1)
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-phenyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC5=CC=CC=C5C(=O)O

DOS

IR

Vibrations