Geometry & MOs

Info

ID:

118885

PubChem CID:

50662623

Reduced:

ClN6O6C36H49 (1)

Stoich.:

AB6C6D36E49 (1)

Weight, g/mol:

710.355861

ΔHf, kcal/mol:

-269.78

Dipole, Da:

5.97

IP(EA), eV:

 -8.9(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-methoxy-5-[(2-methylcyclohexyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)OC

DOS

IR

Vibrations