Geometry & MOs

Info

ID:	86180
PubChem CID:	49882410
Reduced:	O2S2N3C19H19 (1)
Stoich.:	A2B2C3D19E19 (1)
Weight, g/mol:	414.118418
ΔH_f, kcal/mol:	24.4
Dipole, Da:	2.05
IP(EA), eV:	-8.58(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-5-methylphenyl)-2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)OC)CSC3=CC=CC=C3

DOS

IR

Vibrations