Geometry & MOs

Info

ID:

223845

PubChem CID:

85335650

Reduced:

SN3O5C33H47 (1)

Stoich.:

AB3C5D33E47 (1)

Weight, g/mol:

602.140043

ΔHf, kcal/mol:

-216.89

Dipole, Da:

8.05

IP(EA), eV:

 -8.83(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)-N-[4-[[4-oxo-3-propan-2-yl-1-(2,4,6-trichlorophenyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]methyl]phenyl]ethanesulfonamide

Drug info:

PubChemData

Smile

CCN(C1CCN(CC1)CCC(C2=CC=CC=C2)NC(=O)C3CCOC(C3)(C)C)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

DOS

IR

Vibrations