Geometry & MOs

Info

ID:	282441
PubChem CID:	103927065
Reduced:	BrNSO4C13H18 (1)
Stoich.:	ABCD4E13F18 (1)
Weight, g/mol:	310.098728
ΔH_f, kcal/mol:	-171.68
Dipole, Da:	6.22
IP(EA), eV:	-9.24(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-cyanophenyl)methylsulfonylamino]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)S(=O)(=O)N[C@@H](C(=O)O)C(C)(C)C)Br

DOS

IR

Vibrations