Geometry & MOs

Info

ID:	44707
PubChem CID:	10505467
Reduced:	SN3O6C25H27 (1)
Stoich.:	AB3C6D25E27 (1)
Weight, g/mol:	497.195767
ΔH_f, kcal/mol:	-174.33
Dipole, Da:	6.08
IP(EA), eV:	-8.53(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(2S,3S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(trifluoromethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(=O)NN3C(SCC3=O)C4=CC=C(C=C4)OC)C)C

DOS

IR

Vibrations