Geometry & MOs

Info

ID:	63210
PubChem CID:	26750137
Reduced:	SCl2N2O4H16C19 (1)
Stoich.:	AB2C2D4E16F19 (1)
Weight, g/mol:	418.01643
ΔH_f, kcal/mol:	-116.99
Dipole, Da:	6.94
IP(EA), eV:	-8.98(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C(=CC(=C2OCC(=O)NC3=CC=CC=C3S(=O)(=O)C)Cl)Cl

DOS

IR

Vibrations