Geometry & MOs

Info

ID:	77522
PubChem CID:	49649925
Reduced:	SN2O3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	360.147393
ΔH_f, kcal/mol:	-28.39
Dipole, Da:	2.16
IP(EA), eV:	-9.07(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-4-cyclobutyl-2,4-dioxo-1-phenylbutyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCC2=NC(=CS2)CC(=O)C(C#N)C(=O)C3CCC3

DOS

IR

Vibrations