Geometry & MOs

Info

ID:

434756

PubChem CID:

135175645

Reduced:

SF2N3O5C35H43 (1)

Stoich.:

AB2C3D5E35F43 (1)

Weight, g/mol:

709.16328

ΔHf, kcal/mol:

-283.4

Dipole, Da:

7.72

IP(EA), eV:

 -8.81(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-(4-bromophenyl)-3,3-difluoro-2-[(6-propan-2-yloxynaphthalen-2-yl)sulfonylamino]propanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)OC2=CC=C(C=C2)C([C@H](C(=O)N3CCC(CC3)N)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)OC6CCCC6)(F)F

DOS

IR

Vibrations