Geometry & MOs

Info

ID:	189309
PubChem CID:	77840366
Reduced:	NO6C31H33 (1)
Stoich.:	AB6C31D33 (1)
Weight, g/mol:	216.063388
ΔH_f, kcal/mol:	-173.09
Dipole, Da:	1.75
IP(EA), eV:	-8.68(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-dihydroxybut-2-enyl)-4-hydroxy-3-methoxy-2H-furan-5-one

Drug info:

PubChemData

Smile

CC(=O)C1C(N(C1=O)C(CC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)C(=O)OCCC4=CC=CC=C4

DOS

IR

Vibrations