Geometry & MOs

Info

ID:

434655

PubChem CID:

135175431

Reduced:

N3O3F5C20H26 (1)

Stoich.:

A3B3C5D20E26 (1)

Weight, g/mol:

755.271975

ΔHf, kcal/mol:

-409.01

Dipole, Da:

5.14

IP(EA), eV:

 -9.96(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-[4-(4-chlorophenyl)phenyl]-2-[[1-(cyclopentylmethyl)indazol-5-yl]sulfonylamino]-3,3-difluoropropanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)C(C(C2=CC=C(C=C2)C(F)(F)F)(F)F)N

DOS

IR

Vibrations