Geometry & MOs

Info

ID:	249218
PubChem CID:	103087822
Reduced:	NOSC14H23 (1)
Stoich.:	ABCD14E23 (1)
Weight, g/mol:	357.000463
ΔH_f, kcal/mol:	-43.65
Dipole, Da:	3.2
IP(EA), eV:	-7.83(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2,4-dichloro-3-fluorophenyl)sulfonylamino]methyl]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C)NCCCCSC

DOS

IR

Vibrations