Geometry & MOs

Info

ID:

434953

PubChem CID:

135176051

Reduced:

ClF2N2O4C38H43 (1)

Stoich.:

AB2C2D4E38F43 (1)

Weight, g/mol:

725.255798

ΔHf, kcal/mol:

-234.63

Dipole, Da:

6.69

IP(EA), eV:

 -9.07(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-[(6-cyclopentyloxynaphthalen-2-yl)sulfonylamino]-3,3-difluoro-3-[4-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)[C@H](C(=O)N[C@@H](C(=O)C3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)C6=CC=C(C=C6)Cl)(F)F)O

DOS

IR

Vibrations