Geometry & MOs

Info

ID:

185899

PubChem CID:

77366535

Reduced:

ZnN4O6C33H42 (1)

Stoich.:

AB4C6D33E42 (1)

Weight, g/mol:

500.11095

ΔHf, kcal/mol:

-208.65

Dipole, Da:

14.54

IP(EA), eV:

 -7.76(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[(4-methoxyphenyl)methyl]-1-(1-methoxypropyl)-2,2-dioxo-2lambda6,4-dithia-8-azatricyclo[5.4.1.03,10]dodeca-3(10),5-diene-5-sulfonamide

Drug info:

PubChemData

Smile

CCC1=C(C(=O)NC1CC2=C(C(=C(N2)C=C3C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)C.[Zn]

DOS

IR

Vibrations