Geometry & MOs

Info

ID:

429996

PubChem CID:

135170053

Reduced:

FNOC9H14 (1)

Stoich.:

ABCD9E14 (1)

Weight, g/mol:

1647.517533

ΔHf, kcal/mol:

-68.24

Dipole, Da:

1.22

IP(EA), eV:

-8.62(0.43)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

6-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]-18-(4-phenylquinazolin-2-yl)-12-[18-(4-phenylquinazolin-2-yl)-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19(24),20,22-undecaen-21-yl]-9-oxa-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3(8),4,6,11(16),12,14,19,21,23-undecaene

Drug info:

PubChemData

Smile

C/C=C(\C(=C)F)/N1CCOCC1

DOS

IR

Vibrations