Geometry & MOs

Info

ID:	308342
PubChem CID:	125326249
Reduced:	FSO2N5H16C20 (1)
Stoich.:	ABC2D5E16F20 (1)
Weight, g/mol:	416.070989
ΔH_f, kcal/mol:	-15.43
Dipole, Da:	5.78
IP(EA), eV:	-9.15(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=NC(=O)NC1=O)CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=CC=C4)F

DOS

IR

Vibrations