Geometry & MOs

Info

ID:

120460

PubChem CID:

50728801

Reduced:

ClO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

650.241974

ΔHf, kcal/mol:

-166.64

Dipole, Da:

3.13

IP(EA), eV:

 -8.85(-0.79)

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-[4-[(4-fluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl

DOS

IR

Vibrations