Geometry & MOs

Info

ID:

118443

PubChem CID:

50643467

Reduced:

ClFN6O6C35H40 (1)

Stoich.:

ABC6D6E35F40 (1)

Weight, g/mol:

690.293261

ΔHf, kcal/mol:

-260.88

Dipole, Da:

13.42

IP(EA), eV:

 -8.97(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methoxy-5-[(2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)F)OC

DOS

IR

Vibrations