Geometry & MOs

Info

ID:	170045
PubChem CID:	75187843
Reduced:	SF3O3N4H15C16 (1)
Stoich.:	AB3C3D4E15F16 (1)
Weight, g/mol:	368.094312
ΔH_f, kcal/mol:	-197.31
Dipole, Da:	2.23
IP(EA), eV:	-9.45(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,2-oxazol-5-yl)acetamide

Drug info:

PubChemData

Smile

C1C(NC(NC1=O)SCC(=O)NC2=C(C=NO2)C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations