Geometry & MOs

Info

ID:

108242

PubChem CID:

50237351

Reduced:

ClFO5N6C36H42 (1)

Stoich.:

ABC5D6E36F42 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-246.94

Dipole, Da:

12.55

IP(EA), eV:

 -8.65(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-2-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C(C)C

DOS

IR

Vibrations