Geometry & MOs

Info

ID:	59700
PubChem CID:	24894239
Reduced:	ClSN3O4C22H24 (1)
Stoich.:	ABC3D4E22F24 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-102.5
Dipole, Da:	4.2
IP(EA), eV:	-8.98(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(2,2-dimethylpropanoylamino)pyridin-3-yl]-2-oxoacetate

Drug info:

PubChemData

Smile

CC1=C(C=C(N1C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)Cl)C(=O)N(C)CCOC

DOS

IR

Vibrations