Geometry & MOs

Info

ID:

419807

PubChem CID:

135109124

Reduced:

FN4O4C21H25 (1)

Stoich.:

AB4C4D21E25 (1)

Weight, g/mol:

632.348632

ΔHf, kcal/mol:

-109.15

Dipole, Da:

3.85

IP(EA), eV:

 -9.07(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,13S)-14-[2-(4-fluorophenoxy)acetyl]-2-(3-methylbutanoyl)-6-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2,6,11,14-tetrazabicyclo[11.2.1]hexadecan-12-one

Drug info:

PubChemData

Smile

CN(C)C1=NOC(=C1C(=O)NCC2CC(=O)N(C2)C3CC3)C4=CC(=C(C=C4)F)OC

DOS

IR

Vibrations