Geometry & MOs

Info

ID:	425315
PubChem CID:	135125907
Reduced:	NOSF3H6C8 (1)
Stoich.:	ABCD3E6F8 (1)
Weight, g/mol:	508.114059
ΔH_f, kcal/mol:	-152.4
Dipole, Da:	5.58
IP(EA), eV:	-10.32(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(CC1=O)C2=NC(=CS2)C(F)(F)F

DOS

IR

Vibrations