Geometry & MOs

Info

ID:	328459
PubChem CID:	126723125
Reduced:	INO4C17H26 (1)
Stoich.:	ABC4D17E26 (1)
Weight, g/mol:	309.194008
ΔH_f, kcal/mol:	-176.95
Dipole, Da:	5.51
IP(EA), eV:	-9.79(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(2S,3aS,5R,7aS)-5-[(2R)-2-cyanopropyl]-3a-ethyl-2,3,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]propanoate

Drug info:

PubChemData

Smile

CC(C)(C[C@H]1CC[C@H]2[C@@](O1)(CC(O2)CCC(=O)OC)CI)C#N

DOS

IR

Vibrations