Geometry & MOs

Info

ID:	298373
PubChem CID:	117648714
Reduced:	F2O4N7C30H35 (1)
Stoich.:	A2B4C7D30E35 (1)
Weight, g/mol:	256.203845
ΔH_f, kcal/mol:	-166.27
Dipole, Da:	6.88
IP(EA), eV:	-8.6(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,5S)-5-methyl-3-propan-2-yloxy-2-[(1R)-1-propan-2-yloxybut-3-enyl]oxolane

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=C(C=C1)OC)NC2=C(C=C(C(=N2)NC3=CC(=C(N=C3)N4CCOCC4)F)C#N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations