Geometry & MOs

Info

ID:	343370
PubChem CID:	127266543
Reduced:	OSN3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	346.146347
ΔH_f, kcal/mol:	42.28
Dipole, Da:	4.6
IP(EA), eV:	-8.96(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[4-[2-(4-oxo-6-propyl-1H-pyrimidin-2-yl)but-1-enyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)C=CC3=NC=NC=C3)SC1=O

DOS

IR

Vibrations