Geometry & MOs

Info

ID:	134224
PubChem CID:	51664232
Reduced:	SN2F3O3H15C16 (1)
Stoich.:	AB2C3D3E15F16 (1)
Weight, g/mol:	198.026329
ΔH_f, kcal/mol:	-239.6
Dipole, Da:	9.06
IP(EA), eV:	-9.07(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(4S)-2-(cyanoamino)-6-hydroxy-5-nitro-1,4-dihydropyrimidin-4-olate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC(=C1)C(F)(F)F)NS(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations