Geometry & MOs

Info

ID:	230340
PubChem CID:	87570681
Reduced:	NSbO3C4H11 (1)
Stoich.:	ABC3D4E11 (1)
Weight, g/mol:	685.094464
ΔH_f, kcal/mol:	-88.32
Dipole, Da:	3.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.764266
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]oxy-2-oxopropanoyl] (2S,3S,5R)-2-(3,5-difluorophenyl)-2-hydroxy-3,5-dimethylmorpholine-4-carboxylate

Drug info:

PubChemData

Smile

C(C(CO)(CO)N)O.[Sb]

DOS

IR

Vibrations