Geometry & MOs

Info

ID:	391742
PubChem CID:	135009126
Reduced:	NF2O7H17C21 (1)
Stoich.:	AB2C7D17E21 (1)
Weight, g/mol:	421.155909
ΔH_f, kcal/mol:	-167.08
Dipole, Da:	5.37
IP(EA), eV:	-8.85(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-2,3-dihydroxy-1-(phenylmethoxymethyl)cyclopentyl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2=NC3=C(C=C(C=C3F)F)C(=C2)C(C(=O)OOC)C(=O)OOC

DOS

IR

Vibrations