Geometry & MOs

Info

ID:

436932

PubChem CID:

135213084

Reduced:

SN2O3F6C30H30 (1)

Stoich.:

AB2C3D6E30F30 (1)

Weight, g/mol:

490.229014

ΔHf, kcal/mol:

-373.86

Dipole, Da:

6.64

IP(EA), eV:

 -9.15(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R,10S)-9-[4-(2-methylphenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C(F)(F)F)C2=CC=C(C=C2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)C5=CC=CC=C5C(F)(F)F

DOS

IR

Vibrations