Geometry & MOs

Info

ID:	187005
PubChem CID:	77517237
Reduced:	SN3O6H17C19 (1)
Stoich.:	AB3C6D17E19 (1)
Weight, g/mol:	309.991197
ΔH_f, kcal/mol:	-111.33
Dipole, Da:	2.73
IP(EA), eV:	-9.85(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1,2-dichloro-4-oxo-9aH-pyrrolo[1,2-a]quinoxaline-7-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)N2C(C(C2=O)SC3=CC=CC(=C3)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations