Geometry & MOs

Info

ID:	140181
PubChem CID:	52659089
Reduced:	N2S2O5C22H26 (1)
Stoich.:	A2B2C5D22E26 (1)
Weight, g/mol:	460.03297
ΔH_f, kcal/mol:	-183.94
Dipole, Da:	4.3
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

DOS

IR

Vibrations