Geometry & MOs

Info

ID:

106242

PubChem CID:

50154361

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

615.378455

ΔHf, kcal/mol:

-267.12

Dipole, Da:

7.23

IP(EA), eV:

 -8.71(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]phenyl]-1-[2-[2-methyl-4-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations