Geometry & MOs

Info

ID:

178450

PubChem CID:

76331379

Reduced:

SN4C20H30 (1)

Stoich.:

AB4C20D30 (1)

Weight, g/mol:

590.220557

ΔHf, kcal/mol:

44.59

Dipole, Da:

3.22

IP(EA), eV:

 -8.41(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

17-[3-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)propyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

Drug info:

PubChemData

Smile

CCCN1CCN(CC1)C2=NC(=CS2)CCN(C)CC3=CC=CC=C3

DOS

IR

Vibrations