Geometry & MOs

Info

ID:	369952
PubChem CID:	127336929
Reduced:	SN3O5C16H23 (1)
Stoich.:	AB3C5D16E23 (1)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	-186.7
Dipole, Da:	4.51
IP(EA), eV:	-9.8(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(oxan-4-ylmethyl)piperazin-1-yl]-2-oxoethyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)C2=CC(=CN=C2)O)S(=O)(=O)C3CCOCC3

DOS

IR

Vibrations