Geometry & MOs

Info

ID:	159240
PubChem CID:	57265699
Reduced:	ON2C15H20 (1)
Stoich.:	AB2C15D20 (1)
Weight, g/mol:	361.109627
ΔH_f, kcal/mol:	1.49
Dipole, Da:	2.9
IP(EA), eV:	-8.85(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-2-sulfanylidenepyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC(N=C1)(CCO)NC2=CC=CC=C2C

DOS

IR

Vibrations