Geometry & MOs

Info

ID:

314459

PubChem CID:

126621862

Reduced:

N2H40C55 (1)

Stoich.:

A2B40C55 (1)

Weight, g/mol:

758.27557

ΔHf, kcal/mol:

217.44

Dipole, Da:

1.27

IP(EA), eV:

 -7.89(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(9,9-dimethyl-22-phenyl-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16(21),17,19-undecaen-18-yl)phenyl]-N-phenyldibenzothiophen-3-amine

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C4=CC5=C(C=C4C=C3)C6=C(N5C7=CC=CC=C7)C=CC(=C6)C8=CC=CC=C8N(C9=CC=CC=C9)C1=CC=C(C=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations