Geometry & MOs

Info

ID:	382541
PubChem CID:	134973764
Reduced:	N2O4H16C17 (1)
Stoich.:	A2B4C16D17 (1)
Weight, g/mol:	326.191336
ΔH_f, kcal/mol:	-80.88
Dipole, Da:	6.3
IP(EA), eV:	-9.22(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R,5S)-4-hydroxy-5-[(4Z,6E)-3-hydroxy-4-trimethylsilylocta-4,6-dienyl]-3,5-dimethyloxolan-2-one

Drug info:

PubChemData

Smile

COCC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3OC)C(=O)OC

DOS

IR

Vibrations