Geometry & MOs

Info

ID:

434582

PubChem CID:

135175257

Reduced:

SF4N4O4H28C29 (1)

Stoich.:

AB4C4D4E28F29 (1)

Weight, g/mol:

735.17893

ΔHf, kcal/mol:

-302.16

Dipole, Da:

7.59

IP(EA), eV:

 -9.61(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(3R)-1-[3-(4-bromophenyl)-2-[(6-cyclopentyloxynaphthalen-2-yl)sulfonylamino]-3,3-difluoropropanoyl]piperidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C3=C(N=CS3)C(F)(F)F)O)N4CC5=C(C4=O)C=C(C=C5)F

DOS

IR

Vibrations