Geometry & MOs

Info

ID:	211982
PubChem CID:	81059029
Reduced:	ClSN3O3C9H16 (1)
Stoich.:	ABC3D3E9F16 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-98.39
Dipole, Da:	8.68
IP(EA), eV:	-9.32(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminoethyl)-N-(2-ethoxyethyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

CCOCCN(C)S(=O)(=O)C1=C(N(C=N1)C)Cl

DOS

IR

Vibrations