Geometry & MOs

Info

ID:

397837

PubChem CID:

135030823

Reduced:

O3H14C24 (1)

Stoich.:

A3B14C24 (1)

Weight, g/mol:

1132.287527

ΔHf, kcal/mol:

11.96

Dipole, Da:

6.01

IP(EA), eV:

 -9.52(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6S,7R)-4-[6-[(3S)-3,4-dimethyl-2,5-dioxopyrrolidin-1-yl]hexa-2,4-diynyl]-9-[6-[9-[6-[(6S,7R)-9-[6-[(3S)-3,4-dimethyl-2,5-dioxopyrrolidin-1-yl]hexa-2,4-diynyl]-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]hexa-2,4-diynyl]-3,5,8,10-tetraoxo-4,9-diazatricyclo[5.3.0.02,6]decan-4-yl]hexa-2,4-diynyl]-4,9-diazatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3C24C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations