Geometry & MOs

Info

ID:	142340
PubChem CID:	53019422
Reduced:	ClSO3N4H17C20 (1)
Stoich.:	ABC3D4E17F20 (1)
Weight, g/mol:	390.99901
ΔH_f, kcal/mol:	-19.91
Dipole, Da:	3.08
IP(EA), eV:	-8.76(-1.06)
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)benzamide

Drug info:

PubChemData

Smile

CCC1=CSC2=NC(=C(C(=O)N12)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C)C

DOS

IR

Vibrations