Geometry & MOs

Info

ID:	214015
PubChem CID:	81065782
Reduced:	SN3O4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	221.072179
ΔH_f, kcal/mol:	-59.11
Dipole, Da:	4.09
IP(EA), eV:	-9.09(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylsulfonylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC1=C(C2=C(C=C1)SC=N2)[N+](=O)[O-]

DOS

IR

Vibrations