Geometry & MOs

Info

ID:	154274
PubChem CID:	56313684
Reduced:	BrN3O3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	496.00049
ΔH_f, kcal/mol:	-76.67
Dipole, Da:	6.36
IP(EA), eV:	-9.26(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=CC(=C1)C(=O)NC2=NC=C(C=C2)Br)OCC

DOS

IR

Vibrations