Geometry & MOs

Info

ID:	77506
PubChem CID:	49649831
Reduced:	SN2O3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-11.93
Dipole, Da:	3.67
IP(EA), eV:	-9.29(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-cyano-5-cyclobutyl-3,5-dioxopentyl)-3-cyclohexylurea

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)C(C#N)C(=O)CC2=CSC(=N2)C3=CC=CO3

DOS

IR

Vibrations