Geometry & MOs

Info

ID:	216513
PubChem CID:	85086350
Reduced:	SN2O3C13H14 (1)
Stoich.:	AB2C3D13E14 (1)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-88.96
Dipole, Da:	3.1
IP(EA), eV:	-9.47(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-oxo-4-phenylmethoxyoct-2-enoate

Drug info:

PubChemData

Smile

C1C(C=CC1O)N2CC(C(=O)NC2=O)C3=CC=CS3

DOS

IR

Vibrations