Geometry & MOs

Info

ID:	153736
PubChem CID:	56313047
Reduced:	BrO3N4H15C22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	465.95989
ΔH_f, kcal/mol:	41.27
Dipole, Da:	4.56
IP(EA), eV:	-9.32(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-4,5-dichloro-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NOC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations