Geometry & MOs

Info

ID:	85987
PubChem CID:	49880833
Reduced:	SN3O3H23C25 (1)
Stoich.:	AB3C3D23E25 (1)
Weight, g/mol:	518.162391
ΔH_f, kcal/mol:	15.59
Dipole, Da:	4.75
IP(EA), eV:	-8.87(-0.81)
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-(2,4-dimethoxyphenyl)propanamide

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCCCOC5=CC=CC=C5

DOS

IR

Vibrations