Geometry & MOs

Info

ID:	32536
PubChem CID:	7842294
Reduced:	ClNF2O4H12C16 (1)
Stoich.:	ABC2D4E12F16 (1)
Weight, g/mol:	403.115462
ΔH_f, kcal/mol:	-209.65
Dipole, Da:	5.04
IP(EA), eV:	-9.28(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-5,6-diphenyl-1,2,4-triazine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC(=O)OCC(=O)NC2=CC(=C(C=C2)F)Cl)F

DOS

IR

Vibrations