Geometry & MOs

Info

ID:	396666
PubChem CID:	135029004
Reduced:	NO3H19C23 (1)
Stoich.:	AB3C19D23 (1)
Weight, g/mol:	202.120509
ΔH_f, kcal/mol:	-18.61
Dipole, Da:	4.6
IP(EA), eV:	-8.21(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,4R)-5-[(2R,3S)-3-hydroxyoxan-2-yl]pent-2-ene-1,4-diol

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)C(C3=CC=CC=C3)C4=C(C=CC5=C4OCO5)O

DOS

IR

Vibrations