Geometry & MOs

Info

ID:	224869
PubChem CID:	85529195
Reduced:	NOSH15C19 (1)
Stoich.:	ABCD15E19 (1)
Weight, g/mol:	216.099774
ΔH_f, kcal/mol:	39.0
Dipole, Da:	3.02
IP(EA), eV:	-8.55(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-acetyloxy-3-oxohexanoate

Drug info:

PubChemData

Smile

CCCC1=C2C(=NC3=CC=CC=C3S2)C4=CC=CC=C4C1=O

DOS

IR

Vibrations