Geometry & MOs

Info

ID:	328450
PubChem CID:	126723099
Reduced:	INO3C15H24 (1)
Stoich.:	ABC3D15E24 (1)
Weight, g/mol:	309.157623
ΔH_f, kcal/mol:	-129.19
Dipole, Da:	2.61
IP(EA), eV:	-9.91(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[(2R,5R,7aS)-5-[(2R)-2-cyanopropyl]-3a-(hydroxymethyl)-2,3,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]prop-2-enoate

Drug info:

PubChemData

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C[C@H](CC1CC[C@H]2[C@@](O1)(C[C@@H](O2)CCCO)CI)C#N

DOS

IR

Vibrations