Geometry & MOs

Info

ID:	195437
PubChem CID:	78685616
Reduced:	SN3O4H15C18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	403.153206
ΔH_f, kcal/mol:	-83.65
Dipole, Da:	1.7
IP(EA), eV:	-9.08(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] 3-(4-cyanophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CS1)C(=O)N)OC(=O)C=CC2=CC=C(C=C2)C#N

DOS

IR

Vibrations