Geometry & MOs

Info

ID:	213013
PubChem CID:	81062498
Reduced:	BrSN3O3C12H20 (1)
Stoich.:	ABC3D3E12F20 (1)
Weight, g/mol:	272.209993
ΔH_f, kcal/mol:	-106.12
Dipole, Da:	5.17
IP(EA), eV:	-9.06(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-2-(ethylamino)-3-[methyl(2-propan-2-yloxyethyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CCNC1=C(C=C(C=N1)Br)S(=O)(=O)N(C)CCOCC

DOS

IR

Vibrations