Geometry & MOs

Info

ID:	401032
PubChem CID:	135049823
Reduced:	BrNSO2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	237.172879
ΔH_f, kcal/mol:	-25.39
Dipole, Da:	6.01
IP(EA), eV:	-8.67(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-3-cyanoundec-2-enyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C=C)Br

DOS

IR

Vibrations