Geometry & MOs

Info

ID:

427513

PubChem CID:

135159477

Reduced:

NO2H33C36 (1)

Stoich.:

AB2C33D36 (1)

Weight, g/mol:

657.346293

ΔHf, kcal/mol:

130.36

Dipole, Da:

4.42

IP(EA), eV:

 -8.43(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(7Z)-9-[(Z)-but-2-enyl]sulfanyl-2-cyclopenta-1,2,4-trien-1-yl-3-ethylnona-1,7-dien-3-yl]-5-[(2E,4Z)-6-[2-[[(1Z,3Z)-hexa-1,3,5-trienyl]amino]phenyl]hexa-2,4-dien-3-yl]benzenethiol

Drug info:

PubChemData

Smile

C1CCNC(C1)C2=CC3=C(C#C2)C4(C5=CCCC=C5OC6=CC=CC=C64)C7=C(O3)C=C(C=C7)C8CCCC=C8

DOS

IR

Vibrations