Geometry & MOs

Info

ID:	154054
PubChem CID:	56313430
Reduced:	BrClO2N5H17C19 (1)
Stoich.:	ABC2D5E17F19 (1)
Weight, g/mol:	494.01606
ΔH_f, kcal/mol:	4.68
Dipole, Da:	4.92
IP(EA), eV:	-9.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(5-bromopyridin-2-yl)carbamoyl]phenyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NC2=CC=CC(=C2)C(=O)NC3=NC=C(C=C3)Br)C)Cl

DOS

IR

Vibrations