Geometry & MOs

Info

ID:	155683
PubChem CID:	56366888
Reduced:	S2N3O4C21H27 (1)
Stoich.:	A2B3C4D21E27 (1)
Weight, g/mol:	446.143092
ΔH_f, kcal/mol:	-134.25
Dipole, Da:	5.07
IP(EA), eV:	-9.26(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]cyclobutane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)CCCNC(=O)C3=CC=CS3

DOS

IR

Vibrations