Geometry & MOs

Info

ID:	135762
PubChem CID:	51930433
Reduced:	SO2N3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	406.156243
ΔH_f, kcal/mol:	8.52
Dipole, Da:	10.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.033714
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylanilino]methyl]furan-3-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC=CC(=C1)C[NH2+]CC2=CC(=CC=C2)C#N

DOS

IR

Vibrations