Geometry & MOs

Info

ID:	56063
PubChem CID:	17404132
Reduced:	ClSN3O3C15H16 (1)
Stoich.:	ABC3D3E15F16 (1)
Weight, g/mol:	494.198777
ΔH_f, kcal/mol:	-91.25
Dipole, Da:	10.04
IP(EA), eV:	-8.74(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CCCN1C(=CC(=O)N=C1SCC(=O)NC2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations