Geometry & MOs

Info

ID:	86080
PubChem CID:	49881702
Reduced:	ClO2S2N4C23H25 (1)
Stoich.:	AB2C2D4E23F25 (1)
Weight, g/mol:	398.123504
ΔH_f, kcal/mol:	8.0
Dipole, Da:	9.33
IP(EA), eV:	-8.24(-0.64)
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]-N-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SC(C)C(=O)NC3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations