Geometry & MOs

Info

ID:	308676
PubChem CID:	126522372
Reduced:	ClN3O3C20H24 (1)
Stoich.:	AB3C3D20E24 (1)
Weight, g/mol:	352.092243
ΔH_f, kcal/mol:	-128.57
Dipole, Da:	6.83
IP(EA), eV:	-8.52(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,3-difluoro-4-[(2Z,4Z)-5-fluoro-4-formyloxyhepta-2,4,6-trienyl]phenyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C1C[C@H](CC(C1)NC(=O)C2CCCN2C(=O)O)C3=CNC4=C3C=C(C=C4)Cl

DOS

IR

Vibrations