Geometry & MOs

Info

ID:

309137

PubChem CID:

126538280

Reduced:

SN5O5C25H25 (1)

Stoich.:

AB5C5D25E25 (1)

Weight, g/mol:

430.334799

ΔHf, kcal/mol:

-128.66

Dipole, Da:

5.08

IP(EA), eV:

 -8.9(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11-ethyl-10-hexyl-16-methylidene-17-pent-1-en-2-yl-1,5-diazatetracyclo[12.4.0.02,7.08,13]octadeca-8(13),9,11,14,17-pentaene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=CC(=O)N(C3=C2C(=O)N(C(=O)N3C4=CC=CC(=C4)NS(=O)(=O)C)C5CC5)C

DOS

IR

Vibrations