Geometry & MOs

Info

ID:	137345
PubChem CID:	52193457
Reduced:	ClN2O3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	341.196414
ΔH_f, kcal/mol:	-91.77
Dipole, Da:	2.4
IP(EA), eV:	-9.34(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(Z)-5-[(2R,3R,4R,6R)-4,6-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]pent-3-enoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCCNC(=O)C2=CC=C(C=C2)Cl)O

DOS

IR

Vibrations