Geometry & MOs

Info

ID:	77901
PubChem CID:	49666547
Reduced:	ClSN2O3H11C15 (1)
Stoich.:	ABC2D3E11F15 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	-82.46
Dipole, Da:	2.45
IP(EA), eV:	-8.74(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-[6-oxo-5-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)C(=C1O)C(=O)NC3=CC=CC=C3Cl)SC=C2

DOS

IR

Vibrations