Geometry & MOs

Info

ID:	86094
PubChem CID:	49881799
Reduced:	O2S2N3H19C20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	474.154804
ΔH_f, kcal/mol:	34.56
Dipole, Da:	9.41
IP(EA), eV:	-8.99(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)CSC3=CC=CC=C3

DOS

IR

Vibrations