Geometry & MOs

Info

ID:	15826
PubChem CID:	453154
Reduced:	SF3N4O4H13C15 (1)
Stoich.:	AB3C4D4E13F15 (1)
Weight, g/mol:	402.060961
ΔH_f, kcal/mol:	-240.21
Dipole, Da:	4.89
IP(EA), eV:	-9.42(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[5-oxo-6-[2-[(2,2,2-trifluoroacetyl)amino]phenyl]-2H-1,2,4-triazin-3-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=NC(=O)C(=NN1)C2=CC=CC=C2NC(=O)C(F)(F)F

DOS

IR

Vibrations