Geometry & MOs

Info

ID:	282440
PubChem CID:	103927049
Reduced:	SN2O4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	363.01399
ΔH_f, kcal/mol:	-163.29
Dipole, Da:	9.45
IP(EA), eV:	-9.97(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2-bromo-4-methylphenyl)sulfonylamino]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)O)NS(=O)(=O)CCC1=CC=CC=N1

DOS

IR

Vibrations