Geometry & MOs

Info

ID:	177828
PubChem CID:	76238434
Reduced:	NO3C12H12 (2)
Stoich.:	AB3C12D12 (2)
Weight, g/mol:	372.086781
ΔH_f, kcal/mol:	-117.38
Dipole, Da:	4.05
IP(EA), eV:	-8.41(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)methylsulfanyl]-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C=CC(=O)OC(C2=CC=CC=C2)C(=O)NC3=NOC(=C3)C)OC

DOS

IR

Vibrations