Geometry & MOs

Info

ID:	278433
PubChem CID:	103835671
Reduced:	ClFNS2O3C11H15 (1)
Stoich.:	ABCD2E3F11G15 (1)
Weight, g/mol:	334.065714
ΔH_f, kcal/mol:	-165.97
Dipole, Da:	3.04
IP(EA), eV:	-8.38(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-(4-nitrophenyl)methanesulfonamide

Drug info:

PubChemData

Smile

CC(CNS(=O)(=O)C1=C(C=C(C=C1)Cl)F)(CSC)O

DOS

IR

Vibrations