Geometry & MOs

Info

ID:

104122

PubChem CID:

50091880

Reduced:

N6O6C41H46 (1)

Stoich.:

A6B6C41D46 (1)

Weight, g/mol:

637.287589

ΔHf, kcal/mol:

-188.26

Dipole, Da:

9.93

IP(EA), eV:

 -8.45(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[3-oxo-3-[3-(trifluoromethyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations