Geometry & MOs

Info

ID:	311521
PubChem CID:	126593074
Reduced:	BrFO4N7C32H37 (1)
Stoich.:	ABC4D7E32F37 (1)
Weight, g/mol:	467.04269
ΔH_f, kcal/mol:	-113.32
Dipole, Da:	5.68
IP(EA), eV:	-8.49(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-amino-2-(3-bromo-4-fluorophenyl)iminoacetyl]piperidin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1(CC1)CN2C=C(C=N2)C3=CC=C(C=C3)NC(=O)N4CCC(CC4)C(=O)C(=NC5=CC(=C(C=C5)F)Br)N

DOS

IR

Vibrations