Geometry & MOs

Info

ID:

117174

PubChem CID:

50593951

Reduced:

ClN6O6C35H39 (1)

Stoich.:

AB6C6D35E39 (1)

Weight, g/mol:

678.236889

ΔHf, kcal/mol:

-198.74

Dipole, Da:

8.67

IP(EA), eV:

 -8.81(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[2-[4-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations