Geometry & MOs

Info

ID:	125753
PubChem CID:	50936903
Reduced:	NSO2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	261.96294
ΔH_f, kcal/mol:	5.64
Dipole, Da:	6.58
IP(EA), eV:	-8.5(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-1-phenylprop-2-ynyl) prop-2-ynoate

Drug info:

PubChemData

Smile

CC#CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations