Geometry & MOs

Info

ID:	64847
PubChem CID:	29204088
Reduced:	SN3O3C16H23 (1)
Stoich.:	AB3C3D16E23 (1)
Weight, g/mol:	337.146013
ΔH_f, kcal/mol:	-142.43
Dipole, Da:	3.6
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-oxobutanoyl]amino]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)C(=O)CCC(=O)NC2=C(C=CS2)C(=O)N)C

DOS

IR

Vibrations