Geometry & MOs

Info

ID:	242995
PubChem CID:	99214911
Reduced:	SN3O7C19H25 (1)
Stoich.:	AB3C7D19E25 (1)
Weight, g/mol:	452.107579
ΔH_f, kcal/mol:	-284.55
Dipole, Da:	3.09
IP(EA), eV:	-9.74(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[4-(thiophene-2-carbonylamino)piperidin-1-yl]sulfonylphenoxy]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CCCC1)NS(=O)(=O)C2=CC(=C(C=C2)OC)[C@]3(C(=O)NC(=O)N3)C

DOS

IR

Vibrations