Geometry & MOs

Info

ID:	328449
PubChem CID:	126723097
Reduced:	INO4C21H34 (1)
Stoich.:	ABC4D21E34 (1)
Weight, g/mol:	393.08009
ΔH_f, kcal/mol:	-184.29
Dipole, Da:	4.98
IP(EA), eV:	-9.31(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[(2S,3aS,7aS)-2-(3-hydroxypropyl)-3a-(iodomethyl)-2,3,5,6,7,7a-hexahydrofuro[3,2-b]pyran-5-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

C[C@H](C[C@@H](CC[C@H]1CCC(O1)C2COC3(O2)CCCCC3)OCCI)C#N

DOS

IR

Vibrations