Geometry & MOs

Info

ID:	285823
PubChem CID:	104133919
Reduced:	BrClON2C16H16 (1)
Stoich.:	ABCD2E16F16 (1)
Weight, g/mol:	358.94947
ΔH_f, kcal/mol:	-12.09
Dipole, Da:	5.09
IP(EA), eV:	-9.16(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-1,3-thiazol-2-yl)-2-chloro-6-propan-2-ylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)Br)C)Cl

DOS

IR

Vibrations