Geometry & MOs

Info

ID:

118744

PubChem CID:

50657265

Reduced:

ClFO5N6C33H42 (1)

Stoich.:

ABC5D6E33F42 (1)

Weight, g/mol:

642.273274

ΔHf, kcal/mol:

-266.27

Dipole, Da:

7.59

IP(EA), eV:

 -8.98(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-acetamido-2-fluoroanilino)-3-oxopropyl]-1-[2-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)F)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC(C4)C)Cl

DOS

IR

Vibrations