Geometry & MOs

Info

ID:	43028
PubChem CID:	10317885
Reduced:	O3C25H36 (1)
Stoich.:	A3B25C36 (1)
Weight, g/mol:	384.067698
ΔH_f, kcal/mol:	-132.56
Dipole, Da:	5.96
IP(EA), eV:	-9.11(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-[2-[(2-chloro-6-fluorophenyl)methyl]-3-oxoisoindol-1-ylidene]-2-cyanoacetate

Drug info:

PubChemData

Smile

CC1=C([C@]2(CCCC([C@@H]2CC1)(C)C)C)CC/C(=C\C=C\C3=CC(=O)OC3)/CO

DOS

IR

Vibrations