Geometry & MOs

Info

ID:

436924

PubChem CID:

135212966

Reduced:

FSN2O3C23H27 (1)

Stoich.:

ABC2D3E23F27 (1)

Weight, g/mol:

623.375678

ΔHf, kcal/mol:

-90.48

Dipole, Da:

1.99

IP(EA), eV:

 -8.85(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-cycloheptyl-4-[[(8R,9S)-9-[4-(2,3-dimethylphenyl)phenyl]-10-(methoxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]sulfonyl]-3,5-dimethyl-1,2-oxazolidine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1C)F)C2=CC=C(C=C2)C3[C@@H]4CN(C/C=C\CN4C3CO)S(=O)O

DOS

IR

Vibrations