Geometry & MOs

Info

ID:	165973
PubChem CID:	74620980
Reduced:	ClFON5H21C24 (1)
Stoich.:	ABCD5E21F24 (1)
Weight, g/mol:	369.051417
ΔH_f, kcal/mol:	37.87
Dipole, Da:	4.94
IP(EA), eV:	-9.05(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methylsulfanyl]-6-(3,4-difluorophenyl)-1,2,4-triazinan-5-one

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C=CC(=O)NCC2=CC(=CC=C2)CN3C=CN=C3)Cl)C4=CC=C(C=C4)F

DOS

IR

Vibrations