Geometry & MOs

Info

ID:	436933
PubChem CID:	135213089
Reduced:	SN2O3C29H34 (1)
Stoich.:	AB2C3D29E34 (1)
Weight, g/mol:	509.214841
ΔH_f, kcal/mol:	-62.39
Dipole, Da:	4.16
IP(EA), eV:	-9.03(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8R,10S)-9-[4-(6-fluoro-5-methylpyridin-3-yl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC=C(C=C2)C3[C@@H]4CN(CCCCN4[C@@H]3CO)S(=O)(=O)C5=CC=CC=C5C

DOS

IR

Vibrations