Geometry & MOs

Info

ID:

378766

PubChem CID:

134224863

Reduced:

N2H36C49 (1)

Stoich.:

A2B36C49 (1)

Weight, g/mol:

858.245333

ΔHf, kcal/mol:

185.22

Dipole, Da:

1.98

IP(EA), eV:

 -7.81(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20-(7-phenylbenzo[c]carbazol-10-yl)-16-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-12-oxa-16-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC3=CC=CC=C32)C4=C1C(=C5C6=C(C=C(C=C6)N(C7=CC=CC=C7)C8=CC=CC=C8)NC5=C4C9=CC=CC=C9)C1=CC=CC=C1)C

DOS

IR

Vibrations