Geometry & MOs

Info

ID:

163503

PubChem CID:

58007294

Reduced:

BrClSN2O2C24H24 (1)

Stoich.:

ABCD2E2F24G24 (1)

Weight, g/mol:

448.112916

ΔHf, kcal/mol:

-32.35

Dipole, Da:

2.15

IP(EA), eV:

 -8.66(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(difluoromethoxy)-N-[(1S,3R)-3-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2,4,6,8,11-pentaen-12-yl)cyclopentyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N2C(C(N=C2S1)(C)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl)C(C)C

DOS

IR

Vibrations