Geometry & MOs

Info

ID:	194205
PubChem CID:	78497086
Reduced:	SN2O3C12H22 (1)
Stoich.:	AB2C3D12E22 (1)
Weight, g/mol:	350.091198
ΔH_f, kcal/mol:	-153.73
Dipole, Da:	6.1
IP(EA), eV:	-9.04(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethoxyphenyl)methylsulfanyl]-6-(trifluoromethyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)SCCC2OCCCO2

DOS

IR

Vibrations