Geometry & MOs

Info

ID:	153545
PubChem CID:	56312793
Reduced:	BrN3O4H18C22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	479.03932
ΔH_f, kcal/mol:	-76.81
Dipole, Da:	4.85
IP(EA), eV:	-9.23(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-3-(4-fluorophenyl)imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C(=O)CCC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=NC=C(C=C4)Br

DOS

IR

Vibrations