Geometry & MOs

Info

ID:	13657
PubChem CID:	396566
Reduced:	SN2O11C25H28 (1)
Stoich.:	AB2C11D25E28 (1)
Weight, g/mol:	564.141381
ΔH_f, kcal/mol:	-389.8
Dipole, Da:	1.53
IP(EA), eV:	-8.87(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4,5-triacetyloxy-6-[4-(furan-2-ylmethylidene)-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)SC2=NC(=CC3=CC=CO3)C(=O)N2CC=C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations