Geometry & MOs

Info

ID:	213917
PubChem CID:	81065548
Reduced:	NSO6C13H17 (1)
Stoich.:	ABC6D13E17 (1)
Weight, g/mol:	315.077658
ΔH_f, kcal/mol:	-226.52
Dipole, Da:	9.97
IP(EA), eV:	-9.36(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

DOS

IR

Vibrations