Geometry & MOs

Info

ID:	328439
PubChem CID:	126723078
Reduced:	NOH5C6 (3)
Stoich.:	ABC5D6 (3)
Weight, g/mol:	276.120903
ΔH_f, kcal/mol:	-18.81
Dipole, Da:	7.21
IP(EA), eV:	-9.56(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,3aR,5R,7aS)-2-[(1R)-1,2-dihydroxyethyl]-3a-(hydroxymethyl)-2,3,5,6,7,7a-hexahydrofuro[3,2-b]pyran-5-yl]acetic acid

Drug info:

PubChemData

Smile

C[C@](COC1=CC=C(C=C1)C#N)(C(=O)NC2=CC=C(C=C2)C#N)O

DOS

IR

Vibrations