Geometry & MOs

Info

ID:	233039
PubChem CID:	87691649
Reduced:	ClNSO5C9H20 (1)
Stoich.:	ABCD5E9F20 (1)
Weight, g/mol:	304.97481
ΔH_f, kcal/mol:	-231.46
Dipole, Da:	4.3
IP(EA), eV:	-9.94(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)(CCS(=O)(=O)C(CO)C(CO)O)NCl

DOS

IR

Vibrations