Geometry & MOs

Info

ID:

314451

PubChem CID:

126621848

Reduced:

SN2H36C56 (1)

Stoich.:

AB2C36D56 (1)

Weight, g/mol:

656.192235

ΔHf, kcal/mol:

247.72

Dipole, Da:

1.98

IP(EA), eV:

 -7.97(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=C(C=C3)C4=CC5=C(C=C4)N(C6=C5C=C7C=CC8=C(C7=C6)C9=CC=CC=C9S8)C1=CC=CC=C1)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations