Geometry & MOs

Info

ID:

98007

PubChem CID:

50037928

Reduced:

FCl2O4N5C32H34 (1)

Stoich.:

AB2C4D5E32F34 (1)

Weight, g/mol:

633.296262

ΔHf, kcal/mol:

-196.65

Dipole, Da:

14.59

IP(EA), eV:

 -8.9(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2,5-dimethoxyanilino)-3-oxopropyl]-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations