Geometry & MOs

Info

ID:	251993
PubChem CID:	103108346
Reduced:	ClS2N3O3C10H16 (1)
Stoich.:	AB2C3D3E10F16 (1)
Weight, g/mol:	258.194343
ΔH_f, kcal/mol:	-99.2
Dipole, Da:	2.08
IP(EA), eV:	-9.62(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]propanoate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NS(=O)(=O)C1=C(N=C(S1)Cl)C

DOS

IR

Vibrations