Geometry & MOs

Info

ID:

434702

PubChem CID:

135175528

Reduced:

SN3O4F5C31H38 (1)

Stoich.:

AB3C4D5E31F38 (1)

Weight, g/mol:

751.271448

ΔHf, kcal/mol:

-392.54

Dipole, Da:

6.19

IP(EA), eV:

 -9.38(-0.4)

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-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]propanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)S(=O)(=O)N[C@H](C(=O)N3CCC(CC3)N)C(C4=CC=C(C=C4)C5(CC5)C(F)(F)F)(F)F

DOS

IR

Vibrations