Geometry & MOs

Info

ID:	251119
PubChem CID:	103101622
Reduced:	SN3O5C9H13 (1)
Stoich.:	AB3C5D9E13 (1)
Weight, g/mol:	192.066555
ΔH_f, kcal/mol:	-188.78
Dipole, Da:	2.91
IP(EA), eV:	-9.74(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-3-chloro-N-ethylpropanamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)S(=O)(=O)C1=CNC(=C1)C(=O)O

DOS

IR

Vibrations