Geometry & MOs

Info

ID:

296899

PubChem CID:

117600095

Reduced:

FNO4C18H24 (1)

Stoich.:

ABC4D18E24 (1)

Weight, g/mol:

764.191676

ΔHf, kcal/mol:

-234.75

Dipole, Da:

3.58

IP(EA), eV:

 -9.64(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (3R,4S)-4-(4-chlorophenyl)-3-[[4-[(2,4-dimethoxyphenyl)methyl-(3-methyl-1,2,4-thiadiazol-5-yl)sulfamoyl]-2,5-difluorophenoxy]methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)C(=O)OC)C2=CC=C(C=C2)F

DOS

IR

Vibrations