Geometry & MOs

Info

ID:

417148

PubChem CID:

135091457

Reduced:

NS2O4C18H19 (1)

Stoich.:

AB2C4D18E19 (1)

Weight, g/mol:

619.409755

ΔHf, kcal/mol:

-102.74

Dipole, Da:

5.64

IP(EA), eV:

 -8.64(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,13S)-6-[(5-ethylpyridin-2-yl)methyl]-2-(3-methylbutanoyl)-14-[2-methyl-2-(3-methylphenoxy)propanoyl]-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=C4C(=CS3)OCCO4)C5=C1SC=C5

DOS

IR

Vibrations