Geometry & MOs

Info

ID:

79876

PubChem CID:

49830995

Reduced:

N2O4C21H30 (1)

Stoich.:

A2B4C21D30 (1)

Weight, g/mol:

466.200491

ΔHf, kcal/mol:

-169.48

Dipole, Da:

3.69

IP(EA), eV:

 -8.5(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

Drug info:

PubChemData

Smile

CCCCNC(=O)C1=CN(C(=O)C2=CC(=C(C=C21)OC)OC)C(CC)CC

DOS

IR

Vibrations