Geometry & MOs

Info

ID:	182209
PubChem CID:	76860046
Reduced:	SO3N4C26H36 (1)
Stoich.:	AB3C4D26E36 (1)
Weight, g/mol:	488.16306
ΔH_f, kcal/mol:	-79.79
Dipole, Da:	4.84
IP(EA), eV:	-8.85(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-benzyl-5-[benzyl-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CN2CCN(CC2)CC=CC3=CC=CC=C3)C

DOS

IR

Vibrations