Geometry & MOs

Info

ID:	42397
PubChem CID:	8149511
Reduced:	ON4C21H24 (1)
Stoich.:	AB4C21D24 (1)
Weight, g/mol:	361.116152
ΔH_f, kcal/mol:	20.32
Dipole, Da:	5.01
IP(EA), eV:	-8.04(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl)methyl 2-methyl-5-[(1R,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