Geometry & MOs

Info

ID:	53811
PubChem CID:	14718016
Reduced:	ClNO2C9H22 (1)
Stoich.:	ABC2D9E22 (1)
Weight, g/mol:	212.025563
ΔH_f, kcal/mol:	-113.92
Dipole, Da:	14.5
IP(EA), eV:	-7.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-10-oxa-6-thia-2-azatricyclo[6.3.0.02,5]undec-1(8)-ene-3,11-dione

Drug info:

PubChemData

Smile

CC(C)C[N+](C)(CCO)CCO.[Cl-]

DOS

IR

Vibrations