Geometry & MOs

Info

ID:	42400
PubChem CID:	8149514
Reduced:	NO7C18H19 (1)
Stoich.:	AB7C18D19 (1)
Weight, g/mol:	361.116152
ΔH_f, kcal/mol:	-236.81
Dipole, Da:	3.05
IP(EA), eV:	-10.06(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)[C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)OCC2=CC=C(C=C2)C#N

DOS

IR

Vibrations