Geometry & MOs

Info

ID:	194529
PubChem CID:	78549534
Reduced:	NO4H23C24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	421.119523
ΔH_f, kcal/mol:	-98.59
Dipole, Da:	3.74
IP(EA), eV:	-8.83(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]oxymethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=CC(=O)NCCC(=O)OCC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations