Geometry & MOs

Info

ID:	43308
PubChem CID:	10321101
Reduced:	ClOSF3N5H15C18 (1)
Stoich.:	ABCD3E5F15G18 (1)
Weight, g/mol:	441.939477
ΔH_f, kcal/mol:	-116.32
Dipole, Da:	6.81
IP(EA), eV:	-9.31(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetrasodium;[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-6-methoxy-3-phosphonatooxyoxan-4-yl] phosphate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=C(C=CC=N2)Cl)C(=O)NC3=NC4=C(S3)C=C(C=C4)C(F)(F)F

DOS

IR

Vibrations