Geometry & MOs

Info

ID:

314341

PubChem CID:

126621589

Reduced:

BrNSH20C34 (1)

Stoich.:

ABCD20E34 (1)

Weight, g/mol:

898.276633

ΔHf, kcal/mol:

151.02

Dipole, Da:

2.44

IP(EA), eV:

 -8.06(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(22-phenyl-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-yl)phenyl]-N-(4-pyrido[4,3-b]indol-5-ylphenyl)dibenzothiophen-2-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC(=CC=C4)Br)C5=C2C=C6C(=C5)C=CC7=C6SC8=CC=CC=C78

DOS

IR

Vibrations