Geometry & MOs

Info

ID:	382526
PubChem CID:	134973743
Reduced:	YN2O4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	382.235539
ΔH_f, kcal/mol:	-36.66
Dipole, Da:	3.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.047474
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCOC1=CC=CC=C1C(=O)[NH-].C=CCOC1=CC=CC=C1C(=O)[NH-].[Y]

DOS

IR

Vibrations