Geometry & MOs

Info

ID:

324677

PubChem CID:

126678119

Reduced:

ON2H30C40 (1)

Stoich.:

AB2C30D40 (1)

Weight, g/mol:

680.192235

ΔHf, kcal/mol:

126.98

Dipole, Da:

2.13

IP(EA), eV:

 -7.94(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

21-dibenzothiophen-2-yl-15,24-diphenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18(23),19,21,26-dodecaene

Drug info:

PubChemData

Smile

CC(C)(C)C1=C2C(=C3C(=C1)C4=C(N3C5=CC=CC=C5)C=CC6=C4OC7=CC=CC=C67)C8=CC=CC=C8N2C9=CC=CC=C9

DOS

IR

Vibrations