Geometry & MOs

Info

ID:

80881

PubChem CID:

49846723

Reduced:

SCl2N6O6C50H58 (1)

Stoich.:

AB2C6D6E50F58 (1)

Weight, g/mol:

404.14601

ΔHf, kcal/mol:

-156.79

Dipole, Da:

9.21

IP(EA), eV:

 -8.46(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S)-2-(1H-indol-2-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)OCC6CCC(CC6)N7CCOCC7)Cl)OC8=CN=C9C(=C8)C=CN9)C

DOS

IR

Vibrations