Geometry & MOs

Info

ID:

434717

PubChem CID:

135175576

Reduced:

BrF2S2N3O4C29H32 (1)

Stoich.:

AB2C2D3E4F29G32 (1)

Weight, g/mol:

679.208312

ΔHf, kcal/mol:

-206.98

Dipole, Da:

12.35

IP(EA), eV:

 -9.04(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[4-(4-chlorophenyl)phenyl]-3-(4,7-diazaspiro[2.5]octan-7-yl)-1,1-difluoro-3-oxopropan-2-yl]-6-cyclopentyloxynaphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(S3)S(=O)(=O)NC(C(=O)N4C5CCC4CC(C5)N)C(C6=CC=C(C=C6)Br)(F)F

DOS

IR

Vibrations