Geometry & MOs

Info

ID:	350680
PubChem CID:	127278968
Reduced:	SN2O3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	328.215078
ΔH_f, kcal/mol:	-74.94
Dipole, Da:	3.88
IP(EA), eV:	-8.78(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-1-[(3-phenylcyclobutyl)amino]propan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(CO2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4)C

DOS

IR

Vibrations