Geometry & MOs

Info

ID:	76993
PubChem CID:	48425679
Reduced:	SO3N4C17H22 (1)
Stoich.:	AB3C4D17E22 (1)
Weight, g/mol:	394.192629
ΔH_f, kcal/mol:	-56.45
Dipole, Da:	3.42
IP(EA), eV:	-9.11(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(diethylamino)-2-oxoethyl]-1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=C(N=CC=C1)SCC2=NOC(=C2)C

DOS

IR

Vibrations