Geometry & MOs

Info

ID:	86125
PubChem CID:	49882087
Reduced:	S2N3O3C17H17 (1)
Stoich.:	A2B3C3D17E17 (1)
Weight, g/mol:	414.118418
ΔH_f, kcal/mol:	-11.45
Dipole, Da:	6.47
IP(EA), eV:	-8.93(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC2=CC=C(O2)C(=O)OC)CSC3=CC=CC=C3

DOS

IR

Vibrations