Geometry & MOs

Info

ID:	425351
PubChem CID:	135126009
Reduced:	FSN3O5C13H16 (1)
Stoich.:	ABC3D5E13F16 (1)
Weight, g/mol:	319.080219
ΔH_f, kcal/mol:	-201.93
Dipole, Da:	5.24
IP(EA), eV:	-9.03(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5R)-3-amino-1,1-dihydroxy-2,5-dimethyl-6H-1,2,4-thiadiazin-5-yl]-4,5-difluorobenzaldehyde

Drug info:

PubChemData

Smile

CC1(CS(N(C(=N1)NC(=O)O)C)(O)O)C2=C(C=CC(=C2)C=O)F

DOS

IR

Vibrations