Geometry & MOs

Info

ID:	86131
PubChem CID:	49882115
Reduced:	OS2N3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	418.068881
ΔH_f, kcal/mol:	60.4
Dipole, Da:	2.04
IP(EA), eV:	-8.65(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations