Geometry & MOs

Info

ID:	383403
PubChem CID:	134975102
Reduced:	OC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	443.161388
ΔH_f, kcal/mol:	-116.07
Dipole, Da:	1.64
IP(EA), eV:	-9.34(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3aR,5R,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-yl]methyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)CCCCCC[C@@H]1CCC=CC1

DOS

IR

Vibrations