Geometry & MOs

Info

ID:

326197

PubChem CID:

126687057

Reduced:

SF2O2N12C36H40 (1)

Stoich.:

AB2C2D12E36F40 (1)

Weight, g/mol:

365.235479

ΔHf, kcal/mol:

-25.23

Dipole, Da:

9.55

IP(EA), eV:

 -8.48(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-[(3aR,6aS)-5-benzyl-5-methoxy-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]propan-2-yl]phenol

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1CCCCC1NC2=NC(=NC=C2F)C3=CNC4=C3C=CC(=N4)CC5CCC(C(C5)N)NC6=NC(=NC=C6F)C7=CNC8=C7C=CC=N8

DOS

IR

Vibrations