Geometry & MOs

Info

ID:	37427
PubChem CID:	8020963
Reduced:	BrNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	323.092436
ΔH_f, kcal/mol:	-88.13
Dipole, Da:	6.88
IP(EA), eV:	-9.0(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] (2E,4E)-hexa-2,4-dienoate

Drug info:

PubChemData

Smile

C/C=C/C=C/C(=O)O[C@@H](C)C(=O)NC1=CC=C(C=C1)Br

DOS

IR

Vibrations