Geometry & MOs

Info

ID:

435526

PubChem CID:

135191718

Reduced:

NOC39H43 (1)

Stoich.:

ABC39D43 (1)

Weight, g/mol:

435.162314

ΔHf, kcal/mol:

102.05

Dipole, Da:

4.03

IP(EA), eV:

 -8.41(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(20S)-21-(4-phenylphenyl)-3-oxa-21-azahexacyclo[11.9.0.02,10.04,9.014,19.020,22]docosa-1(13),2(10),4,6,8,11,14,16,18-nonaene

Drug info:

PubChemData

Smile

CC1CC=CC2=C1C3=CC4=C5C/C=C\C=C/C(CC(C46CC7=C(C=C6)C8C=CC=CC8(C7(C)C)C)(C)C)NC5=C3O2

DOS

IR

Vibrations