Geometry & MOs

Info

ID:	425280
PubChem CID:	135125788
Reduced:	ON3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	488.169368
ΔH_f, kcal/mol:	20.0
Dipole, Da:	4.23
IP(EA), eV:	-8.59(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-fluoro-5-[(Z)-2-fluoro-2-(5-pent-3-yn-2-yloxypyrazin-2-yl)ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC2=CC=NN12)C3=CC4=C(C=C3)OC5(CC4)CCNCC5

DOS

IR

Vibrations