Geometry & MOs

Info

ID:

297760

PubChem CID:

117629321

Reduced:

NO2C31H41 (1)

Stoich.:

AB2C31D41 (1)

Weight, g/mol:

687.126912

ΔHf, kcal/mol:

-97.72

Dipole, Da:

3.28

IP(EA), eV:

 -9.21(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[1-[6-[(2,4-dimethoxyphenyl)methyl-(1,2,4-thiadiazol-5-yl)sulfamoyl]-5-fluoro-2-oxo-1,3-benzoxazol-3-yl]ethyl]phenyl]-3-fluoroazetidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)C(=O)[C@@H](CCC23CC4CC(C2)CC(C4)C3)CC5=CC=CC=C5

DOS

IR

Vibrations