Geometry & MOs

Info

ID:

115387

PubChem CID:

50521432

Reduced:

Cl2N6O6C33H42 (1)

Stoich.:

A2B6C6D33E42 (1)

Weight, g/mol:

645.296262

ΔHf, kcal/mol:

-257.01

Dipole, Da:

3.92

IP(EA), eV:

 -8.94(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations