Geometry & MOs

Info

ID:	251153
PubChem CID:	103101792
Reduced:	ClS2N3O3C8H12 (1)
Stoich.:	AB2C3D3E8F12 (1)
Weight, g/mol:	187.132077
ΔH_f, kcal/mol:	-100.41
Dipole, Da:	3.81
IP(EA), eV:	-9.79(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(2-amino-2-oxoethyl)-N-ethylbutanamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)S(=O)(=O)C1=C(N=C(S1)Cl)C

DOS

IR

Vibrations