Geometry & MOs

Info

ID:

86221

PubChem CID:

49883061

Reduced:

S2F3O3N4C23H23 (1)

Stoich.:

A2B3C3D4E23F23 (1)

Weight, g/mol:

582.106533

ΔHf, kcal/mol:

-184.47

Dipole, Da:

7.94

IP(EA), eV:

 -8.82(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-[[5-(benzenesulfonylmethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CC2=NN=C(N2CC=C)SC(C)C(=O)NC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations