Geometry & MOs

Info

ID:

314464

PubChem CID:

126621867

Reduced:

N2H38C53 (1)

Stoich.:

A2B38C53 (1)

Weight, g/mol:

682.24427

ΔHf, kcal/mol:

209.66

Dipole, Da:

0.23

IP(EA), eV:

 -7.67(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-dibenzothiophen-3-yl-9,9-dimethyl-N,22-diphenyl-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-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C4=CC5=C(C=C4C=C2)C6=C(N5C7=CC=CC=C7)C=CC(=C6)N(C8=CC=C(C=C8)C9=CC=CC=C9)C1=CC2=CC=CC=C2C=C1)C

DOS

IR

Vibrations