Geometry & MOs

Info

ID:

315719

PubChem CID:

126628615

Reduced:

FOPN5C33H35 (1)

Stoich.:

ABCD5E33F35 (1)

Weight, g/mol:

355.18173

ΔHf, kcal/mol:

49.05

Dipole, Da:

7.06

IP(EA), eV:

 -8.86(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-1-[(1R,5S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-3-hydroxy-2-methylhept-6-en-1-one

Drug info:

PubChemData

Smile

CPC(=NC1CCN(CC1)CC2=CC=C(C=C2)C#N)C3=CC(=C(C=C3)OC4CCN(CC4)C5=CC=C(C=C5)C#N)F

DOS

IR

Vibrations