Geometry & MOs

Info

ID:

189927

PubChem CID:

77923511

Reduced:

SN5O5C23H29 (1)

Stoich.:

AB5C5D23E29 (1)

Weight, g/mol:

562.242749

ΔHf, kcal/mol:

-107.27

Dipole, Da:

12.03

IP(EA), eV:

 -8.21(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-(4-cyanophenyl)-7,13-bis(dimethylamino)-6,8,16,18-tetrahydroxy-2,4-dioxobicyclo[8.8.0]octadeca-1(18),5,12,14,16-pentaene-5-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)N2C(=C)C(=C(N=CN)OC3CCN(CC3)C(=O)OC4CCC4)C=N2

DOS

IR

Vibrations