Geometry & MOs

Info

ID:	226068
PubChem CID:	87322627
Reduced:	ClFO3N4C18H18 (1)
Stoich.:	ABC3D4E18F18 (1)
Weight, g/mol:	160.019415
ΔH_f, kcal/mol:	-93.14
Dipole, Da:	1.91
IP(EA), eV:	-8.28(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl prop-2-yne-1-sulfonate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1OCCCNCC3=NC(=NC=C3F)Cl)C=C(N2)CC(=O)O

DOS

IR

Vibrations