Geometry & MOs

Info

ID:	150172
PubChem CID:	53789859
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	208.07693
ΔH_f, kcal/mol:	-90.61
Dipole, Da:	3.71
IP(EA), eV:	-7.49(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-oxohexane-1-sulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N)OC)NC2=C(C=C(C=C2)O)NC(=O)C

DOS

IR

Vibrations