Geometry & MOs

Info

ID:	192805
PubChem CID:	78314097
Reduced:	SO3N5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	297.151098
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	5.42
IP(EA), eV:	-8.77(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hexyl-3-[2-(5-sulfanylidene-3,4-dihydro-1,2,4-triazol-3-yl)ethyl]oxolan-2-one

Drug info:

PubChemData

Smile

CCC(C)SC1=NN=C(N1C2=CC=C(C=C2)OCC)CC3CC(=O)NC(=O)N3

DOS

IR

Vibrations