Geometry & MOs

Info

ID:	86140
PubChem CID:	49882144
Reduced:	O2S2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	426.154804
ΔH_f, kcal/mol:	7.03
Dipole, Da:	4.98
IP(EA), eV:	-9.2(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethyl-6-methylphenyl)-2-[[4-methyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)OCC1=CC=CC=C1)SC2=NN=C(N2C)CSC3=CC=CC=C3

DOS

IR

Vibrations