Geometry & MOs

Info

ID:	191996
PubChem CID:	78212215
Reduced:	ClSO2N3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	299.9932
ΔH_f, kcal/mol:	-79.71
Dipole, Da:	4.3
IP(EA), eV:	-9.37(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromophenyl)methylsulfanyl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)CSC2NCCC(=O)N2

DOS

IR

Vibrations