Geometry & MOs

Info

ID:	61060
PubChem CID:	26704988
Reduced:	ClN2S2O6C19H21 (1)
Stoich.:	AB2C2D6E19F21 (1)
Weight, g/mol:	478.159614
ΔH_f, kcal/mol:	-201.4
Dipole, Da:	6.23
IP(EA), eV:	-9.06(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[1-(5-tert-butyl-2-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=C(SC=C3)C(=O)OC)Cl

DOS

IR

Vibrations