Geometry & MOs

Info

ID:	368411
PubChem CID:	127328336
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	391.18173
ΔH_f, kcal/mol:	-88.76
Dipole, Da:	4.14
IP(EA), eV:	-9.44(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-azaspiro[5.5]undec-9-en-2-yl)-3-(4-methoxyphenyl)sulfonyl-2-methylpropan-1-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=CNN=C2)C(=O)CNC(=O)CC34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations