Geometry & MOs

Info

ID:

186529

PubChem CID:

77442748

Reduced:

FSN5O5C34H40 (1)

Stoich.:

ABC5D5E34F40 (1)

Weight, g/mol:

552.245807

ΔHf, kcal/mol:

-145.74

Dipole, Da:

7.3

IP(EA), eV:

 -8.5(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]-3-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1C2=CC=C(C=C2)F)OCC)CN3CCC4C3CCC4NC5=NC6=C(O5)C=CC(=C6)S(=O)(=O)N=CN(C)C

DOS

IR

Vibrations