Geometry & MOs

Info

ID:

117829

PubChem CID:

50617114

Reduced:

ClF2O5N6C39H39 (1)

Stoich.:

AB2C5D6E39F39 (1)

Weight, g/mol:

619.256147

ΔHf, kcal/mol:

-235.97

Dipole, Da:

4.47

IP(EA), eV:

 -8.69(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[3-(2-methoxy-5-methylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=C(C=C5)F)F)Cl

DOS

IR

Vibrations