Geometry & MOs

Info

ID:

186530

PubChem CID:

77442749

Reduced:

FSN2O4C31H37 (1)

Stoich.:

ABC2D4E31F37 (1)

Weight, g/mol:

544.248584

ΔHf, kcal/mol:

-162.56

Dipole, Da:

3.44

IP(EA), eV:

 -8.49(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[[3-ethoxy-4-(4-fluorophenyl)-5-methoxyphenyl]methyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-4-yl]amino]-1,3-benzoxazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1C2=CC=C(C=C2)F)OCC)CN3CCC4C3CCC4NS(=O)(=O)C5=CC=CC(=C5)C

DOS

IR

Vibrations