Geometry & MOs

Info

ID:

169575

PubChem CID:

75121081

Reduced:

ClSO4N5C25H26 (1)

Stoich.:

ABC4D5E25F26 (1)

Weight, g/mol:

527.139403

ΔHf, kcal/mol:

2.06

Dipole, Da:

22.18

IP(EA), eV:

 -7.88(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazolidin-3-yl]sulfanyl]-N'-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]acetohydrazide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[NH+]2C(NNC2SCC(=O)NNC=C3C=CC(=O)C=C3[O-])C4=CC=C(C=C4)Cl

DOS

IR

Vibrations