Geometry & MOs

Info

ID:	406604
PubChem CID:	135078126
Reduced:	NSO10H31C37 (1)
Stoich.:	ABC10D31E37 (1)
Weight, g/mol:	351.05824
ΔH_f, kcal/mol:	-280.69
Dipole, Da:	3.59
IP(EA), eV:	-9.39(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-bromophenyl)methyl-ethylamino]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1COC(=N1)SC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6

DOS

IR

Vibrations