Geometry & MOs

Info

ID:	403768
PubChem CID:	135061780
Reduced:	ISeN5O5H14C16 (1)
Stoich.:	ABC5D5E14F16 (1)
Weight, g/mol:	264.172545
ΔH_f, kcal/mol:	-62.86
Dipole, Da:	5.32
IP(EA), eV:	-9.45(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7R)-5-[(4E)-6-hydroxy-4-methylhexa-1,4-dien-2-yl]-4,7-dimethylspiro[2.4]hept-4-ene-6,7-diol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)N2C(=O)C(=CN(C2=O)[C@H]3C(C([C@H]([Se]3)CO)O)N=[N+]=[N-])I

DOS

IR

Vibrations