Geometry & MOs

Info

ID:

434740

PubChem CID:

135175602

Reduced:

BrSF2O3N5C30H36 (1)

Stoich.:

ABC2D3E5F30G36 (1)

Weight, g/mol:

663.16903

ΔHf, kcal/mol:

-150.61

Dipole, Da:

8.05

IP(EA), eV:

 -8.89(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-(4-bromophenyl)-1,1-difluoro-3-oxopropan-2-yl]-2-(cyclopentylmethyl)-N-methylindazole-5-sulfonamide

Drug info:

PubChemData

Smile

CN(C(C(=O)N1C2CCC1CC(C2)N)C(C3=CC=C(C=C3)Br)(F)F)S(=O)(=O)C4=CC5=CN(N=C5C=C4)CC6CCCC6

DOS

IR

Vibrations