Geometry & MOs

Info

ID:

170588

PubChem CID:

75256626

Reduced:

SO3N5C28H33 (1)

Stoich.:

AB3C5D28E33 (1)

Weight, g/mol:

531.149574

ΔHf, kcal/mol:

5.07

Dipole, Da:

8.76

IP(EA), eV:

 -8.14(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[[2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazolidin-4-ium-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]naphthalen-2-olate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C2NNC(N2C3=CC=C(C=C3)OC)SCC(=O)NNC=C4C=CC=CC4=O

DOS

IR

Vibrations