Geometry & MOs

Info

ID:

434785

PubChem CID:

135175706

Reduced:

F2N3O4C25H31 (1)

Stoich.:

A2B3C4D25E31 (1)

Weight, g/mol:

745.276391

ΔHf, kcal/mol:

-251.59

Dipole, Da:

4.81

IP(EA), eV:

 -9.34(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-[4-(4-chlorophenyl)phenyl]-2-[[4-(cyclohexylmethoxy)phenyl]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(=CC=C2)OC3=CC=CC=C3)(F)F)N

DOS

IR

Vibrations