Geometry & MOs

Info

ID:	279714
PubChem CID:	103844802
Reduced:	ClNSO3C14H22 (1)
Stoich.:	ABCD3E14F22 (1)
Weight, g/mol:	279.150429
ΔH_f, kcal/mol:	-139.19
Dipole, Da:	5.95
IP(EA), eV:	-9.84(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-ethyl-2-(hydroxymethyl)butyl]oxane-4-sulfonamide

Drug info:

PubChemData

Smile

CCC(CC)(CNS(=O)(=O)C1=C(C=C(C=C1)C)Cl)CO

DOS

IR

Vibrations