Geometry & MOs

Info

ID:	167786
PubChem CID:	74876207
Reduced:	BrOSN2C8H15 (1)
Stoich.:	ABCD2E8F15 (1)
Weight, g/mol:	251.9932
ΔH_f, kcal/mol:	-60.7
Dipole, Da:	3.29
IP(EA), eV:	-9.04(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromoethylsulfanyl)-6-methyl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)SCCCBr

DOS

IR

Vibrations