Geometry & MOs

Info

ID:

118743

PubChem CID:

50657264

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

656.288924

ΔHf, kcal/mol:

-224.21

Dipole, Da:

10.89

IP(EA), eV:

 -8.99(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC(=C1NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC(C4)C)Cl)C

DOS

IR

Vibrations