Geometry & MOs

Info

ID:	395794
PubChem CID:	135026567
Reduced:	NSO3H17C21 (1)
Stoich.:	ABC3D17E21 (1)
Weight, g/mol:	477.183461
ΔH_f, kcal/mol:	-23.16
Dipole, Da:	4.47
IP(EA), eV:	-8.78(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,8R)-2-benzyl-12-(4-methoxyphenyl)sulfanyl-5,10-dimethyl-6-oxa-2,5,10,13,15-pentazatricyclo[9.4.0.04,8]pentadeca-1(11),12,14-trien-9-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C=C\2/C3=CC=CC=C3NS(=O)(=O)C4=CC=CC=C42

DOS

IR

Vibrations