Geometry & MOs

Info

ID:

118052

PubChem CID:

50626510

Reduced:

ClFO5N6C38H38 (1)

Stoich.:

ABC5D6E38F38 (1)

Weight, g/mol:

682.324561

ΔHf, kcal/mol:

-182.77

Dipole, Da:

8.21

IP(EA), eV:

 -8.81(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[1-[4-(cyclohexanecarbonylamino)-3-methoxyanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC(=O)NC2=CC(=CC=C2)NC(=O)CC3=CC=C(C=C3)F)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations