Geometry & MOs

Info

ID:	401907
PubChem CID:	135053303
Reduced:	NS2O6H13C16 (1)
Stoich.:	AB2C6D13E16 (1)
Weight, g/mol:	399.175201
ΔH_f, kcal/mol:	-74.73
Dipole, Da:	6.01
IP(EA), eV:	-8.16(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethyl-3-[(triphenyl-lambda5-phosphanylidene)amino]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=S(C2=CC=CC=C12)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations