Geometry & MOs

Info

ID:	86399
PubChem CID:	49884958
Reduced:	SN4O4H24C26 (1)
Stoich.:	AB4C4D24E26 (1)
Weight, g/mol:	493.124232
ΔH_f, kcal/mol:	-27.34
Dipole, Da:	9.16
IP(EA), eV:	-8.78(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(3-methyl-2H-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1(COC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5=CC(=CC=C5)OC

DOS

IR

Vibrations