Geometry & MOs

Info

ID:	145070
PubChem CID:	53455869
Reduced:	SO3N8H20C21 (1)
Stoich.:	AB3C8D20E21 (1)
Weight, g/mol:	198.99621
ΔH_f, kcal/mol:	130.2
Dipole, Da:	3.13
IP(EA), eV:	-8.84(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(3-chloro-4-fluorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=COC1=CC=CC=C1)NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=CC=CC=C4

DOS

IR

Vibrations