Geometry & MOs

Info

ID:	42399
PubChem CID:	8149513
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	361.116152
ΔH_f, kcal/mol:	20.46
Dipole, Da:	4.52
IP(EA), eV:	-8.03(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl)methyl 2-methyl-5-[(1S,2R,3R)-1,2,3,4-tetrahydroxybutyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC(=C1)C#N)NC2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations