Geometry & MOs

Info

ID:

436911

PubChem CID:

135212884

Reduced:

SN2O3F5C30H31 (1)

Stoich.:

AB2C3D5E30F31 (1)

Weight, g/mol:

498.266462

ΔHf, kcal/mol:

-298.06

Dipole, Da:

3.22

IP(EA), eV:

 -9.06(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(9S)-9-[4-(2,3-dimethylphenyl)phenyl]-6-(1-methylimidazolidin-2-yl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1F)F)C2=CC=C(C=C2)[C@H]3[C@@H]4CN(CCCCN4C3COC)S(=O)(=O)C5=CC=CC=C5C(F)(F)F

DOS

IR

Vibrations