Geometry & MOs

Info

ID:	243955
PubChem CID:	99303002
Reduced:	SN2O4C23H24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	448.211055
ΔH_f, kcal/mol:	-93.81
Dipole, Da:	4.61
IP(EA), eV:	-8.86(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methoxyphenyl)methyl]-2-(6-methyl-4-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CNS(=O)(=O)CC1=CC=CC(=C1)CNC(=O)C2=CC(=C(C=C2)OC)C3=CC=CC=C3

DOS

IR

Vibrations