Geometry & MOs

Info

ID:

296897

PubChem CID:

117600023

Reduced:

PO2H24C25 (2)

Stoich.:

AB2C24D25 (2)

Weight, g/mol:

804.171083

ΔHf, kcal/mol:

-50.75

Dipole, Da:

4.81

IP(EA), eV:

 -8.23(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2,4-dimethoxyphenyl)methyl]-2,5-difluoro-4-[[(3S,4S)-1-[(4-methoxyphenyl)methyl]-6-oxo-4-(2,4,5-trifluorophenyl)piperidin-3-yl]methoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)P(C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=CC=C4C5=CC=CC=C5C6(CCCCC6P(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)O)C(=O)O

DOS

IR

Vibrations