Geometry & MOs

Info

ID:	413285
PubChem CID:	135086233
Reduced:	ClNSO3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	171.125929
ΔH_f, kcal/mol:	-48.79
Dipole, Da:	4.52
IP(EA), eV:	-9.44(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-methoxyoct-5-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=N2)C(C3=CC=CC=C3Cl)O

DOS

IR

Vibrations