Geometry & MOs

Info

ID:

118699

PubChem CID:

50654805

Reduced:

ClN6O6C34H45 (1)

Stoich.:

AB6C6D34E45 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-252.53

Dipole, Da:

3.75

IP(EA), eV:

 -9.0(-0.74)

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-[4-(dimethylcarbamoyl)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=CC=CC(=C3C)C(=O)N4CCOCC4

DOS

IR

Vibrations