Geometry & MOs

Info

ID:

109242

PubChem CID:

50277895

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

625.362805

ΔHf, kcal/mol:

-191.76

Dipole, Da:

5.25

IP(EA), eV:

 -8.69(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-(1-phenylethylamino)butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC=C4C(=O)NC(C)C)C)C)F

DOS

IR

Vibrations