Geometry & MOs

Info

ID:

328947

PubChem CID:

126729468

Reduced:

S6O20H34C41 (1)

Stoich.:

A6B20C34D41 (1)

Weight, g/mol:

571.23

ΔHf, kcal/mol:

-658.8

Dipole, Da:

12.58

IP(EA), eV:

 -9.53(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-methyl-13-(3-pyren-1-ylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4,6,8,10,12,15,17(22),20-decaene

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)S(=O)(=O)C4=CC(=C(C=C4)C(C)OC5=C(C=C(C=C5)S(=O)(=O)C6=CC(=CC=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations