Geometry & MOs

Info

ID:	140935
PubChem CID:	52785917
Reduced:	NSO4F6C12H13 (1)
Stoich.:	ABC4D6E12F13 (1)
Weight, g/mol:	386.97108
ΔH_f, kcal/mol:	-459.86
Dipole, Da:	6.29
IP(EA), eV:	-10.15(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[[5-(3-bromoanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoate

Drug info:

PubChemData

Smile

COCCN(CC(F)(F)F)S(=O)(=O)C1=CC=C(C=C1)OC(F)(F)F

DOS

IR

Vibrations