Geometry & MOs

Info

ID:	312521
PubChem CID:	126606223
Reduced:	FSO2N6C22H27 (1)
Stoich.:	ABC2D6E22F27 (1)
Weight, g/mol:	208.050237
ΔH_f, kcal/mol:	-40.99
Dipole, Da:	3.63
IP(EA), eV:	-8.39(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3aS,4R,6R)-4-chloro-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CNC2=NC=C(N=C12)C(=N)C3=C(C=C(C=C3)F)NCCCS(=O)C

DOS

IR

Vibrations