Geometry & MOs

Info

ID:

314381

PubChem CID:

126621731

Reduced:

SN2H24C40 (1)

Stoich.:

AB2C24D40 (1)

Weight, g/mol:

383.131014

ΔHf, kcal/mol:

180.51

Dipole, Da:

3.1

IP(EA), eV:

 -8.03(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-phenyl-9-oxa-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-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)NC6=C5C=C7C=CC8=C(C7=C6)C9=CC=CC=C9S8)C1=CC=CC=C12

DOS

IR

Vibrations