Geometry & MOs

Info

ID:	401661
PubChem CID:	135052005
Reduced:	SO4N6H12C14 (1)
Stoich.:	AB4C6D12E14 (1)
Weight, g/mol:	342.128966
ΔH_f, kcal/mol:	70.31
Dipole, Da:	2.9
IP(EA), eV:	-9.84(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-dimethyl-1,3-diphenylpent-1-yn-3-yl) methanesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N/N=C(\CN=[N+]=[N-])/C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations