Geometry & MOs

Info

ID:	323684
PubChem CID:	126675730
Reduced:	SF2N3O4H25C28 (1)
Stoich.:	AB2C3D4E25F28 (1)
Weight, g/mol:	323.16925
ΔH_f, kcal/mol:	-151.95
Dipole, Da:	4.58
IP(EA), eV:	-8.62(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S)-5-amino-6-[(1R,3R,4R)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-2-(hydroxymethyl)oxane-3,4-diol

Drug info:

PubChemData

Smile

C1CS(=O)C2=C1C=C(C=C2)C3=CC4=C(C=C3)C=C(O4)C(=O)NC5(CCC(CC5)(F)F)C(=O)NC6(CC6)C#N

DOS

IR

Vibrations