Geometry & MOs

Info

ID:

169572

PubChem CID:

75120865

Reduced:

SI2O2N5H23C24 (1)

Stoich.:

AB2C2D5E23F24 (1)

Weight, g/mol:

583.21007

ΔHf, kcal/mol:

93.42

Dipole, Da:

11.48

IP(EA), eV:

 -8.8(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-[[4-phenyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazolidin-3-yl]sulfanyl]acetohydrazide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2NNC(N2C3=CC=CC=C3)SCC(=O)NNC=C4C=C(C=C(C4=O)I)I

DOS

IR

Vibrations