Geometry & MOs

Info

ID:	307191
PubChem CID:	125275690
Reduced:	ON5C19H25 (1)
Stoich.:	AB5C19D25 (1)
Weight, g/mol:	367.07574
ΔH_f, kcal/mol:	33.21
Dipole, Da:	3.55
IP(EA), eV:	-8.49(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-2-[[(5R)-5-(2-hydroxyethyl)-4-methyl-6-oxo-5H-pyrimidin-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCN2CCC[C@H]([C@@H]2C1)CNC(=O)C3=NN=C(C3)C4=CC=CC=N4

DOS

IR

Vibrations