Geometry & MOs

Info

ID:	192719
PubChem CID:	78303690
Reduced:	SO2N4C18H32 (1)
Stoich.:	AB2C4D18E32 (1)
Weight, g/mol:	319.153206
ΔH_f, kcal/mol:	-106.06
Dipole, Da:	4.94
IP(EA), eV:	-9.35(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentyl 4-[(2,6-dioxo-1,3-diazinan-4-yl)amino]benzoate

Drug info:

PubChemData

Smile

CCCCCCCN1C2C(N=C1SCCCCC)N(C(=O)NC2=O)C

DOS

IR

Vibrations