Geometry & MOs

Info

ID:	150161
PubChem CID:	53789848
Reduced:	FO3N5C22H30 (1)
Stoich.:	AB3C5D22E30 (1)
Weight, g/mol:	299.082744
ΔH_f, kcal/mol:	-136.48
Dipole, Da:	5.73
IP(EA), eV:	-8.38(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(cyclohexylamino)-3-oxoprop-1-enyl]furan-2-sulfonic acid

Drug info:

PubChemData

Smile

CC(=CCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(CN3C)C)CC4CCC(CC4)F)O)C

DOS

IR

Vibrations