Geometry & MOs

Info

ID:

144044

PubChem CID:

53304950

Reduced:

ClON5H14C21 (1)

Stoich.:

ABC5D14E21 (1)

Weight, g/mol:

655.099386

ΔHf, kcal/mol:

90.87

Dipole, Da:

0.44

IP(EA), eV:

 -9.18(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(2E)-2-benzylidenehydrazinyl]-2-oxoethyl]sulfanyl-5-[[2-[(2-chloroacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methyl]-1,2,4-triazol-4-yl]-4-chlorobenzamide

Drug info:

PubChemData

Smile

CC1=NNC2=NC3=C(C(=CC(=N3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C(=O)N12

DOS

IR

Vibrations