Geometry & MOs

Info

ID:

434782

PubChem CID:

135175703

Reduced:

ClSF2N3O4C29H32 (1)

Stoich.:

ABC2D3E4F29G32 (1)

Weight, g/mol:

691.229441

ΔHf, kcal/mol:

-231.25

Dipole, Da:

8.88

IP(EA), eV:

 -9.26(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)(=O)N[C@@H](C(=O)N4CCC(CC4)N)C(C5=CC=C(C=C5)Cl)(F)F

DOS

IR

Vibrations