Geometry & MOs

Info

ID:	62862
PubChem CID:	26737362
Reduced:	ClSO2F3N4H14C20 (1)
Stoich.:	ABC2D3E4F14G20 (1)
Weight, g/mol:	354.204239
ΔH_f, kcal/mol:	-182.96
Dipole, Da:	7.39
IP(EA), eV:	-9.03(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5S,6S,6aR)-5-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-6-methoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C3=C(S2)C(=O)N(C=N3)CC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)C

DOS

IR

Vibrations