Geometry & MOs

Info

ID:

431514

PubChem CID:

135171595

Reduced:

PF2N6O7C32H33 (1)

Stoich.:

AB2C6D7E32F33 (1)

Weight, g/mol:

730.207885

ΔHf, kcal/mol:

-319.84

Dipole, Da:

6.85

IP(EA), eV:

 -8.93(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(10-oxa-14-thiapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-3-(9-phenylcarbazol-3-yl)benzo[c]carbazole

Drug info:

PubChemData

Smile

CCOP(=O)(COC1=C(C=C2C(=C1)N(C=C2C(=O)C)CC(=O)N3CC(=C(F)F)C[C@H]3C(=O)NC4=CC=CC=N4)C5=CN=CN=C5)OCC

DOS

IR

Vibrations