Geometry & MOs

Info

ID:

378906

PubChem CID:

134225009

Reduced:

PSN3O9C23H36 (1)

Stoich.:

ABC3D9E23F36 (1)

Weight, g/mol:

893.445747

ΔHf, kcal/mol:

-440.85

Dipole, Da:

4.26

IP(EA), eV:

 -9.24(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[2-[(3E,5Z)-3-(11,11-dimethyl-7,8,9,10-tetrahydroindeno[1,2-b]carbazol-5-yl)hepta-1,3,5-trien-2-yl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-11,11-dimethylindeno[1,2-b]carbazole

Drug info:

PubChemData

Smile

CC(=O)SCCNC(=O)CCNC(=O)[C@H]1C(COP(=O)(O1)O/C(=C/C=C/C[C@@H](C(=O)OC)N)/C=C)(C)C

DOS

IR

Vibrations