Geometry & MOs

Info

ID:

314460

PubChem CID:

126621863

Reduced:

SN2H38C55 (1)

Stoich.:

AB2C38D55 (1)

Weight, g/mol:

908.340279

ΔHf, kcal/mol:

218.97

Dipole, Da:

2.14

IP(EA), eV:

 -7.89(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-dibenzofuran-3-yl-N-[4-[3-(3,3-dimethyl-22-phenyl-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]phenyl]dibenzofuran-3-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)C8=CC=C(C=C8)N(C9=CC=CC=C9)C1=CC2=C(C=C1)C1=CC=CC=C1S2)C

DOS

IR

Vibrations