Geometry & MOs

Info

ID:

115534

PubChem CID:

50526352

Reduced:

ClN6O6C37H45 (1)

Stoich.:

AB6C6D37E45 (1)

Weight, g/mol:

664.257624

ΔHf, kcal/mol:

-227.55

Dipole, Da:

11.87

IP(EA), eV:

 -8.71(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-N-[1-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C)NC(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations