Geometry & MOs

Info

ID:	251422
PubChem CID:	103103866
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-25.43
Dipole, Da:	0.64
IP(EA), eV:	-9.53(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-2-(3-aminoprop-1-ynyl)-N-ethyl-4-methylbenzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(=O)C1=CC=C(S1)C#CCN

DOS

IR

Vibrations