Geometry & MOs

Info

ID:	159391
PubChem CID:	57269796
Reduced:	NCl2O4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	335.155515
ΔH_f, kcal/mol:	-154.57
Dipole, Da:	4.89
IP(EA), eV:	-9.02(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(benzenesulfonyl)-N-cyclopentylhept-5-enamide

Drug info:

PubChemData

Smile

CN1C[C@@H]2CCC[C@@H]([C@@]2(C1)C(=CC(=O)O)C(=O)O)C3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations