Geometry & MOs

Info

ID:

297530

PubChem CID:

117620008

Reduced:

NH37C43 (1)

Stoich.:

AB37C43 (1)

Weight, g/mol:

548.307916

ΔHf, kcal/mol:

87.75

Dipole, Da:

1.82

IP(EA), eV:

 -7.81(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-tert-butyl-23,23-dimethyl-13,27-di(propan-2-yl)-9-oxaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(28),2(10),3(8),4,6,11,13,15,17,19,21,24,26,29-tetradecaene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C3=C(C4=C2C=C(C=C4)C(C)(C)C)C5=C6C(=C3)C=CC7=C6C(=CC8=C7C9=CC=CC=C9C8(C)C)C=C5)C

DOS

IR

Vibrations