Geometry & MOs

Info

ID:	86126
PubChem CID:	49882089
Reduced:	OSN2C10H11 (2)
Stoich.:	ABC2D10E11 (2)
Weight, g/mol:	392.134068
ΔH_f, kcal/mol:	11.44
Dipole, Da:	4.36
IP(EA), eV:	-8.62(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-ethyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1OC)SC2=NN=C(N2C)CSC3=CC=CC=C3

DOS

IR

Vibrations