Geometry & MOs

Info

ID:	404105
PubChem CID:	135064970
Reduced:	NO4Cl5H14C20 (1)
Stoich.:	AB4C5D14E20 (1)
Weight, g/mol:	521.125671
ΔH_f, kcal/mol:	-109.93
Dipole, Da:	2.49
IP(EA), eV:	-9.61(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(4-methylphenyl)sulfonyl-phenylcarbamoyl]quinoxaline-1,4-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C#C[C@H](CNC(=O)OCC(Cl)(Cl)Cl)OC(=O)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations