Geometry & MOs

Info

ID:

434676

PubChem CID:

135175469

Reduced:

BrSF2N3O4C30H34 (1)

Stoich.:

ABC2D3E4F30G34 (1)

Weight, g/mol:

695.25678

ΔHf, kcal/mol:

-221.04

Dipole, Da:

8.7

IP(EA), eV:

 -9.09(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,5Z)-N-[(2S)-1-(4-bromophenyl)-3-[3-(dimethylamino)-8-azabicyclo[3.2.1]octan-8-yl]-1,1-difluoro-3-oxopropan-2-yl]-10-methyl-7-methylidene-4-propan-2-ylideneundeca-2,5-diene-2-sulfonamide

Drug info:

PubChemData

Smile

CC[C@H](C)OC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N[C@@H](C(=O)N3C4CCC3CC(C4)N)C(C5=CC=C(C=C5)Br)(F)F

DOS

IR

Vibrations