Geometry & MOs

Info

ID:	153734
PubChem CID:	56313045
Reduced:	BrFO2N3H19C22 (1)
Stoich.:	ABC2D3E19F22 (1)
Weight, g/mol:	482.09535
ΔH_f, kcal/mol:	-54.64
Dipole, Da:	3.61
IP(EA), eV:	-9.31(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-5-methyl-3-propyl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC(CC1=CC(=CC=C1)F)C(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations