Geometry & MOs

Info

ID:

169478

PubChem CID:

75108616

Reduced:

S2N3O6C52H53 (1)

Stoich.:

A2B3C6D52E53 (1)

Weight, g/mol:

714.25588

ΔHf, kcal/mol:

-138.08

Dipole, Da:

7.0

IP(EA), eV:

 -8.86(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10,18-dimethyl-11,20-bis[2-[2-(2-phenylethynyl)phenyl]ethenylidene]hexacyclo[10.6.1.14,18.02,10.03,8.016,19]icosa-3,5,7,12(19),13,15-hexaene-9,17-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC(C)(CSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O

DOS

IR

Vibrations