Geometry & MOs

Info

ID:

426232

PubChem CID:

135142819

Reduced:

SN3O4C34H41 (1)

Stoich.:

AB3C4D34E41 (1)

Weight, g/mol:

560.293997

ΔHf, kcal/mol:

-101.4

Dipole, Da:

3.52

IP(EA), eV:

 -8.09(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[4-(7-cyclohexa-1,3-dien-1-yl-1,2-dihydro-1,8-naphthyridin-2-yl)cyclohexa-2,4-dien-1-yl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-3,5,8,10,12,17,19-heptaene

Drug info:

PubChemData

Smile

CCNC1=C(C(=C(C=C1)C(C2=NC(=C(S2)C)COCC3=CC=C(C=C3)OC)C(C)(C)C(=O)OCC4=CC=CC=C4)C)N

DOS

IR

Vibrations