Geometry & MOs

Info

ID:	155649
PubChem CID:	56366621
Reduced:	S2N3O3C23H25 (1)
Stoich.:	A2B3C3D23E25 (1)
Weight, g/mol:	461.090155
ΔH_f, kcal/mol:	-51.87
Dipole, Da:	2.18
IP(EA), eV:	-9.42(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)C3=CSC(=N3)CC4=CC=CC=C4

DOS

IR

Vibrations