Geometry & MOs

Info

ID:	415447
PubChem CID:	135088441
Reduced:	SO4N5C14H21 (1)
Stoich.:	AB4C5D14E21 (1)
Weight, g/mol:	359.141596
ΔH_f, kcal/mol:	-99.5
Dipole, Da:	6.42
IP(EA), eV:	-8.93(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CN1C=CN2C1=C(C=N2)C(=O)N[C@@H]3COC[C@H]3CS(=O)(=O)N(C)C

DOS

IR

Vibrations