Geometry & MOs

Info

ID:

314348

PubChem CID:

126621676

Reduced:

SN4H50C76 (1)

Stoich.:

AB4C50D76 (1)

Weight, g/mol:

672.169391

ΔHf, kcal/mol:

344.09

Dipole, Da:

1.95

IP(EA), eV:

 -7.83(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-dibenzothiophen-3-yl-N,22-diphenyl-9-thia-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

C1=CC=C(C=C1)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=CC(=CC(=C4)C5=CC6=C(C=C5)N(C7=C6C=C8C=CC9=C(C8=C7)SC1=CC=CC=C91)C1=CC=CC=C1)N(C1=CC=CC=C1)C1=CC2=C(C=C1)N(C1=CC=CC=C12)C1=CC=CC=C1

DOS

IR

Vibrations