Geometry & MOs

Info

ID:	192352
PubChem CID:	78259714
Reduced:	SN4O4H20C23 (1)
Stoich.:	AB4C4D20E23 (1)
Weight, g/mol:	346.177168
ΔH_f, kcal/mol:	-41.25
Dipole, Da:	2.33
IP(EA), eV:	-8.67(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-2,4-dioxo-1-propyl-1,3-diazinan-5-yl)-N-butyl-4-chlorobutanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)CCC3=NC(=O)C4C=CC=CC4=N3

DOS

IR

Vibrations