Geometry & MOs

Info

ID:

434696

PubChem CID:

135175497

Reduced:

SBr2F2N3O4C27H29 (1)

Stoich.:

AB2C2D3E4F27G29 (1)

Weight, g/mol:

676.172261

ΔHf, kcal/mol:

-208.27

Dipole, Da:

2.38

IP(EA), eV:

 -9.06(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[4-(4-chlorophenyl)phenyl]-3-(4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C2=C(C=C1)C=C(C=C2)S(=O)(=O)N[C@@H](C(=O)N3CCC(CC3)N)C(C4=CC=C(C=C4)Br)(F)F)Br

DOS

IR

Vibrations