Geometry & MOs

Info

ID:	336419
PubChem CID:	127255426
Reduced:	ON2C24H34 (1)
Stoich.:	AB2C24D34 (1)
Weight, g/mol:	446.184172
ΔH_f, kcal/mol:	-22.94
Dipole, Da:	4.05
IP(EA), eV:	-8.6(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E,2R)-5-oxo-5-(N-phenylanilino)pent-3-en-2-yl] (Z)-3-(5-nitrocyclohexen-1-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C1=CC=CC=C1N2CCCCC2)NCC3=CC=C(C=C3)OC

DOS

IR

Vibrations