Geometry & MOs

Info

ID:

170932

PubChem CID:

75303628

Reduced:

SCl2O6N7C46H51 (1)

Stoich.:

AB2C6D7E46F51 (1)

Weight, g/mol:

445.122496

ΔHf, kcal/mol:

-116.25

Dipole, Da:

14.68

IP(EA), eV:

 -8.66(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-methyl-N-[1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]-5-(trifluoromethyl)indole-2-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(N=C5)OCC6CN(CCO6)C7CC7)Cl)OC8=CN=C9C(=C8)C=CN9)C

DOS

IR

Vibrations