Geometry & MOs

Info

ID:	401701
PubChem CID:	135052168
Reduced:	S2O4N5H13C14 (1)
Stoich.:	A2B4C5D13E14 (1)
Weight, g/mol:	342.128966
ΔH_f, kcal/mol:	-4.03
Dipole, Da:	3.37
IP(EA), eV:	-8.98(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-dimethyl-1,1-diphenylpent-2-ynyl) methanesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations