Geometry & MOs

Info

ID:	244348
PubChem CID:	99344198
Reduced:	FO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	459.02523
ΔH_f, kcal/mol:	-60.68
Dipole, Da:	2.92
IP(EA), eV:	-8.69(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-[(2R)-1-oxo-1-[2-(1,3-thiazol-4-ylmethoxy)anilino]propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)[C@H](CCO2)NC(=O)C3=CC(=NN3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations