Geometry & MOs

Info

ID:	86382
PubChem CID:	49884774
Reduced:	ClSO3N4H25C27 (1)
Stoich.:	ABC3D4E25F27 (1)
Weight, g/mol:	479.108582
ΔH_f, kcal/mol:	-12.0
Dipole, Da:	5.12
IP(EA), eV:	-8.95(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC(=CC=C1)Cl)SC2=NN=C(N2C3=CC=CC=C3)C4(COC5=CC=CC=C5O4)C

DOS

IR

Vibrations