Geometry & MOs

Info

ID:

376923

PubChem CID:

134222956

Reduced:

N2O31C46H82 (1)

Stoich.:

A2B31C46D82 (1)

Weight, g/mol:

686.250418

ΔHf, kcal/mol:

-1437.84

Dipole, Da:

12.06

IP(EA), eV:

 -9.71(0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(2,6-diphenyl-1H-1,3,5-triazin-4-ylidene)-2-[3-(3-methyl-9-phenyl-2H-carbazol-3-yl)cyclohepta-1,3-dien-6-yn-1-yl]cyclohexa-2,5-diene-1-thione

Drug info:

PubChemData

Smile

CC1C(CC(OC1C(C(CO)O)O)OC2C(C(OC(C2O)OC3C(C(OC(C3O)CO)OC4C(C(OC(C4O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OCCCCCN)CO)CO)CO)O)NC(=O)C)CO)O)O

DOS

IR

Vibrations