Geometry & MOs

Info

ID:

117880

PubChem CID:

50618793

Reduced:

ClFN6O6C38H38 (1)

Stoich.:

ABC6D6E38F38 (1)

Weight, g/mol:

628.277611

ΔHf, kcal/mol:

-218.89

Dipole, Da:

12.26

IP(EA), eV:

 -8.48(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[1-[3-methoxy-4-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)NC(=O)C2=CC(=CC=C2)F)OC)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations