Geometry & MOs

Info

ID:	148054
PubChem CID:	53787716
Reduced:	NSO4C18H29 (1)
Stoich.:	ABC4D18E29 (1)
Weight, g/mol:	112.052429
ΔH_f, kcal/mol:	-202.11
Dipole, Da:	5.3
IP(EA), eV:	-8.97(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4H-1,3-dioxocine

Drug info:

PubChemData

Smile

CCCCCC(=O)CC=C1N(C(=O)CS1)CCCCCCC(=O)O

DOS

IR

Vibrations