Geometry & MOs

Info

ID:	204648
PubChem CID:	79993397
Reduced:	SN2O3C11H22 (1)
Stoich.:	AB2C3D11E22 (1)
Weight, g/mol:	293.069951
ΔH_f, kcal/mol:	-147.62
Dipole, Da:	2.63
IP(EA), eV:	-9.41(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)CC2CCCO2)N

DOS

IR

Vibrations