Geometry & MOs

Info

ID:	77513
PubChem CID:	49649883
Reduced:	SN2O4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	-94.95
Dipole, Da:	2.94
IP(EA), eV:	-9.79(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-(5-cyano-6-cyclobutyl-2-methyl-4,6-dioxohexan-3-yl)urea

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1C(=O)C(C#N)C(=O)C2CCC2)S(=O)(=O)C

DOS

IR

Vibrations