Geometry & MOs

Info

ID:	220755
PubChem CID:	85238749
Reduced:	O2H10C11 (1)
Stoich.:	A2B10C11 (1)
Weight, g/mol:	184.055801
ΔH_f, kcal/mol:	-1.54
Dipole, Da:	1.27
IP(EA), eV:	-9.95(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-but-3-ynylsulfanylprop-2-enoate

Drug info:

PubChemData

Smile

C1C(O1)C=CC(=O)C2=CC=CC=C2

DOS

IR

Vibrations