Geometry & MOs

Info

ID:	86457
PubChem CID:	49885815
Reduced:	ClSN4O4H23C26 (1)
Stoich.:	ABC4D4E23F26 (1)
Weight, g/mol:	479.108582
ΔH_f, kcal/mol:	-36.52
Dipole, Da:	1.69
IP(EA), eV:	-8.79(-0.73)
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-methyl-1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NC5=C(C=CC(=C5)Cl)OC

DOS

IR

Vibrations