Geometry & MOs

Info

ID:	18340
PubChem CID:	539725
Reduced:	BrNO6H14C15 (1)
Stoich.:	ABC6D14E15 (1)
Weight, g/mol:	383.00045
ΔH_f, kcal/mol:	-194.97
Dipole, Da:	2.27
IP(EA), eV:	-9.26(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-acetyl-1-(4-bromophenyl)-4-hydroxy-2-methoxy-5-oxopyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=O)N(C1(C(=O)OC)OC)C2=CC=C(C=C2)Br)O

DOS

IR

Vibrations