Geometry & MOs

Info

ID:	160446
PubChem CID:	57309794
Reduced:	NC14H17 (1)
Stoich.:	AB14C17 (1)
Weight, g/mol:	411.044041
ΔH_f, kcal/mol:	34.43
Dipole, Da:	2.72
IP(EA), eV:	-8.3(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-chloro-3-[2-chloro-5-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)-4-fluorophenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C1CC(C1)CCN2C=CC3=CC=CC=C32

DOS

IR

Vibrations