Geometry & MOs

Info

ID:

102826

PubChem CID:

50069884

Reduced:

ClO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

688.338461

ΔHf, kcal/mol:

-202.51

Dipole, Da:

6.17

IP(EA), eV:

 -8.56(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-(dimethylcarbamoyl)-2-methoxyanilino]-1-oxopropan-2-yl]-1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations