Geometry & MOs

Info

ID:	338323
PubChem CID:	127259015
Reduced:	NSO2C4H7 (1)
Stoich.:	ABC2D4E7 (1)
Weight, g/mol:	340.080301
ΔH_f, kcal/mol:	-77.48
Dipole, Da:	6.62
IP(EA), eV:	-8.5(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-hept-2-ynylsulfanyl-3-methylsulfonylphenyl) acetate

Drug info:

PubChemData

Smile

CC(=O)OC(=S)NC

DOS

IR

Vibrations