Geometry & MOs

Info

ID:	425270
PubChem CID:	135125739
Reduced:	F3N3O3C20H26 (1)
Stoich.:	A3B3C3D20E26 (1)
Weight, g/mol:	508.114059
ΔH_f, kcal/mol:	-257.04
Dipole, Da:	5.27
IP(EA), eV:	-9.25(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2,3-difluoro-5-[2-fluoro-2-[5-(1,3-oxazol-4-ylmethoxy)pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(CC2CC2)N3CCN(CC3)C(=O)O)NC(=O)C(F)(F)F

DOS

IR

Vibrations