Geometry & MOs

Info

ID:	425257
PubChem CID:	135125676
Reduced:	N3O4C26H29 (1)
Stoich.:	A3B4C26D29 (1)
Weight, g/mol:	474.153718
ΔH_f, kcal/mol:	-78.78
Dipole, Da:	5.33
IP(EA), eV:	-8.26(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(Z)-2-(5-but-3-yn-2-yloxypyrazin-2-yl)-2-fluoroethenyl]-2-fluorophenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

CCONC(=O)N1CCC2(CCC3=C(O2)C=CC(=C3)C4=C(C5=C(C=CC=N5)C=C4)OC)CC1

DOS

IR

Vibrations