Geometry & MOs

Info

ID:

106706

PubChem CID:

50173225

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

643.334539

ΔHf, kcal/mol:

-219.98

Dipole, Da:

5.31

IP(EA), eV:

 -8.84(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC=C4C(=O)N(C)C)C

DOS

IR

Vibrations