Geometry & MOs

Info

ID:	154155
PubChem CID:	56313556
Reduced:	BrFO2N3H19C22 (1)
Stoich.:	ABC2D3E19F22 (1)
Weight, g/mol:	458.04121
ΔH_f, kcal/mol:	-54.44
Dipole, Da:	2.65
IP(EA), eV:	-9.32(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)NC1=CC=CC(=C1)C(=O)NC2=NC=C(C=C2)Br)C3=CC=C(C=C3)F

DOS

IR

Vibrations