Geometry & MOs

Info

ID:

117485

PubChem CID:

50604526

Reduced:

ClO5N6C37H49 (1)

Stoich.:

AB5C6D37E49 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-220.32

Dipole, Da:

3.07

IP(EA), eV:

 -8.2(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[4-[(2-fluoro-4-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)NC(=O)C5CCCCC5)Cl

DOS

IR

Vibrations