Geometry & MOs

Info

ID:

120482

PubChem CID:

50729533

Reduced:

ClN6O6C35H49 (1)

Stoich.:

AB6C6D35E49 (1)

Weight, g/mol:

650.241974

ΔHf, kcal/mol:

-274.08

Dipole, Da:

7.47

IP(EA), eV:

 -8.86(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-[(3-fluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)NC(C)C)OC

DOS

IR

Vibrations