Geometry & MOs

Info

ID:	142345
PubChem CID:	53019427
Reduced:	SO2N3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	421.00958
ΔH_f, kcal/mol:	-35.03
Dipole, Da:	2.92
IP(EA), eV:	-8.77(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(3-ethyl-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl)-5-methoxybenzamide

Drug info:

PubChemData

Smile

CCC1=CSC2=NC(=C(C(=O)N12)NC(=O)C3=CC=CC=C3C)C

DOS

IR

Vibrations