Geometry & MOs

Info

ID:	29213
PubChem CID:	832344
Reduced:	SN3O3C17H19 (1)
Stoich.:	AB3C3D17E19 (1)
Weight, g/mol:	345.114713
ΔH_f, kcal/mol:	-79.58
Dipole, Da:	6.27
IP(EA), eV:	-9.39(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CNC(=O)CSC2=NC(=O)C=C(N2)C3=CC=CC=C3

DOS

IR

Vibrations