Geometry & MOs

Info

ID:	213946
PubChem CID:	81065579
Reduced:	SN2O5C10H20 (1)
Stoich.:	AB2C5D10E20 (1)
Weight, g/mol:	227.115758
ΔH_f, kcal/mol:	-221.74
Dipole, Da:	7.14
IP(EA), eV:	-9.53(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,7-dioxoazepan-1-yl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNS(=O)(=O)N1CCOCC1

DOS

IR

Vibrations