Geometry & MOs

Info

ID:	399532
PubChem CID:	135040776
Reduced:	F3O5C9H15 (1)
Stoich.:	A3B5C9D15 (1)
Weight, g/mol:	278.016828
ΔH_f, kcal/mol:	-389.42
Dipole, Da:	3.84
IP(EA), eV:	-10.63(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(Z)-2-chloro-2-thiophen-3-ylethenyl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@](CC(OC)OC)(C(F)(F)F)O

DOS

IR

Vibrations