Geometry & MOs

Info

ID:

119531

PubChem CID:

50689251

Reduced:

ClN6O6C41H51 (1)

Stoich.:

AB6C6D41E51 (1)

Weight, g/mol:

720.283839

ΔHf, kcal/mol:

-232.88

Dipole, Da:

5.88

IP(EA), eV:

 -8.1(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-[2-[(2-fluoro-4-methylphenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5C)OC

DOS

IR

Vibrations