Geometry & MOs

Info

ID:	436919
PubChem CID:	135212943
Reduced:	NOC26H31 (1)
Stoich.:	ABC26D31 (1)
Weight, g/mol:	520.239579
ΔH_f, kcal/mol:	-11.84
Dipole, Da:	4.11
IP(EA), eV:	-9.19(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9S)-10-(methoxymethyl)-9-[4-(2-methoxyphenyl)phenyl]-6-(2-methylphenyl)sulfonyl-1,6-diazabicyclo[6.2.0]decane

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC=C(C=C2)C3C4CC3CN(C4)C(=O)C5CCCCC5

DOS

IR

Vibrations