Geometry & MOs

Info

ID:	58340
PubChem CID:	24697878
Reduced:	ClN2O3H9C12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	236.119464
ΔH_f, kcal/mol:	-46.3
Dipole, Da:	9.41
IP(EA), eV:	-8.68(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-tert-butyl-4-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C2=C1NC=C(C2=O)C#N)OC)Cl

DOS

IR

Vibrations