Geometry & MOs

Info

ID:	86465
PubChem CID:	49885887
Reduced:	OCl2S2N4C20H20 (1)
Stoich.:	AB2C2D4E20F20 (1)
Weight, g/mol:	384.107854
ΔH_f, kcal/mol:	28.29
Dipole, Da:	5.37
IP(EA), eV:	-8.88(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC(=C(C=C1)Cl)Cl)SC2=NN=C(N2C)CSC3=CC=CC=C3

DOS

IR

Vibrations