Geometry & MOs

Info

ID:	403787
PubChem CID:	135061889
Reduced:	O2C9H13 (2)
Stoich.:	A2B9C13 (2)
Weight, g/mol:	391.105371
ΔH_f, kcal/mol:	-185.59
Dipole, Da:	2.38
IP(EA), eV:	-9.04(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-3-methyl-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC2=C(CCC=C[C@@H]2[C@@H]1C)C)C(=O)OCC

DOS

IR

Vibrations