Geometry & MOs

Info

ID:

314441

PubChem CID:

126621822

Reduced:

ON3H37C58 (1)

Stoich.:

AB3C37D58 (1)

Weight, g/mol:

822.2341

ΔHf, kcal/mol:

235.88

Dipole, Da:

0.96

IP(EA), eV:

 -7.92(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-phenyl-N-[7-(22-phenyl-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl)dibenzothiophen-3-yl]dibenzofuran-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC(=CC=C4)N(C5=CC=CC=C5)C6=CC7=C(C=C6)C8=CC=CC=C8N7C9=CC=CC=C9)C1=C2C=C2C(=C1)C=CC1=C2OC2=CC=CC=C12

DOS

IR

Vibrations