Geometry & MOs

Info

ID:	306992
PubChem CID:	125264587
Reduced:	ClFN3H5C7 (1)
Stoich.:	ABC3D5E7 (1)
Weight, g/mol:	426.136176
ΔH_f, kcal/mol:	18.83
Dipole, Da:	7.22
IP(EA), eV:	-8.78(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-2-[[(6S)-6-[(4-methoxyphenyl)methyl]-5-oxo-6H-1,2,4-triazin-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

C1C(=C2C(=C(C=NC2=N1)Cl)F)N

DOS

IR

Vibrations