Geometry & MOs

Info

ID:

296914

PubChem CID:

117600509

Reduced:

NO2H13C16 (1)

Stoich.:

AB2C13D16 (1)

Weight, g/mol:

770.186733

ΔHf, kcal/mol:

14.39

Dipole, Da:

1.85

IP(EA), eV:

 -9.79(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(=O)C(=O)C2=CC=CC(=C2)C3=CN=CC=C3

DOS

IR

Vibrations