Geometry & MOs

Info

ID:	29212
PubChem CID:	832341
Reduced:	N2O3C20H20 (1)
Stoich.:	A2B3C20D20 (1)
Weight, g/mol:	345.114713
ΔH_f, kcal/mol:	-76.9
Dipole, Da:	4.29
IP(EA), eV:	-8.83(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2R)-oxolan-2-yl]methyl]-2-[(4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)C(=O)OC)C

DOS

IR

Vibrations