Geometry & MOs

Info

ID:	326915
PubChem CID:	126688657
Reduced:	ClFSO2C5H8 (1)
Stoich.:	ABCD2E5F8 (1)
Weight, g/mol:	291.017747
ΔH_f, kcal/mol:	-141.12
Dipole, Da:	4.39
IP(EA), eV:	-11.77(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,6S)-3-[(2,5-dichloropyrimidin-4-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol

Drug info:

PubChemData

Smile

C1C(CC1F)CS(=O)(=O)Cl

DOS

IR

Vibrations