Geometry & MOs

Info

ID:	121142
PubChem CID:	50757012
Reduced:	BrO3N4C21H23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	465.03579
ΔH_f, kcal/mol:	-90.84
Dipole, Da:	4.1
IP(EA), eV:	-8.61(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(7-bromo-4-oxopyrrolo[1,2-a]quinoxalin-5-yl)-N-(1,1-dioxothiolan-3-yl)butanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C(=O)CCCN2C3=C(C=CC(=C3)Br)N4C=CC=C4C2=O

DOS

IR

Vibrations