Geometry & MOs

Info

ID:	140700
PubChem CID:	52741909
Reduced:	N2O2C23H24 (1)
Stoich.:	A2B2C23D24 (1)
Weight, g/mol:	470.16085
ΔH_f, kcal/mol:	-6.87
Dipole, Da:	5.75
IP(EA), eV:	-8.94(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[4-[(3S)-3-ethyl-2,6-dioxopiperidin-3-yl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1C[C@H](OC1)CN(CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)N4C=CC=C4

DOS

IR

Vibrations