Geometry & MOs

Info

ID:

107531

PubChem CID:

50207462

Reduced:

ClO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-219.92

Dipole, Da:

8.88

IP(EA), eV:

 -8.83(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(2-methylpropanoylamino)anilino]-3-oxopropyl]-1-[1-[2-methyl-4-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C)Cl)C

DOS

IR

Vibrations