Geometry & MOs

Info

ID:

108992

PubChem CID:

50267437

Reduced:

N5O5C35H39 (1)

Stoich.:

A5B5C35D39 (1)

Weight, g/mol:

645.237445

ΔHf, kcal/mol:

-155.06

Dipole, Da:

11.93

IP(EA), eV:

 -8.61(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)C(=O)C

DOS

IR

Vibrations