Geometry & MOs

Info

ID:

105588

PubChem CID:

50126544

Reduced:

ClFO5N6C38H46 (1)

Stoich.:

ABC5D6E38F46 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-251.82

Dipole, Da:

11.34

IP(EA), eV:

 -8.62(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)C)F)C

DOS

IR

Vibrations