Geometry & MOs

Info

ID:	183278
PubChem CID:	77001240
Reduced:	BrSN2O2H9C10 (1)
Stoich.:	ABC2D2E9F10 (1)
Weight, g/mol:	262.168128
ΔH_f, kcal/mol:	-30.4
Dipole, Da:	3.5
IP(EA), eV:	-10.0(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylphenyl)-6-hydroxy-5-propyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCC1C(=O)NC(=NC1=O)C2=CC=C(S2)Br

DOS

IR

Vibrations