Geometry & MOs

Info

ID:	175785
PubChem CID:	75946874
Reduced:	SN2O2C11H16 (2)
Stoich.:	AB2C2D11E16 (2)
Weight, g/mol:	468.150112
ΔH_f, kcal/mol:	-107.04
Dipole, Da:	7.06
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[2-(3-methoxyphenyl)sulfonylethylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NN=C(N2CC3CCCO3)SCCS(=O)(=O)C4=CC=CC(=C4)OC

DOS

IR

Vibrations