Geometry & MOs

Info

ID:

117738

PubChem CID:

50613358

Reduced:

ClFO5N6C33H34 (1)

Stoich.:

ABC5D6E33F34 (1)

Weight, g/mol:

708.282696

ΔHf, kcal/mol:

-199.02

Dipole, Da:

6.08

IP(EA), eV:

 -8.98(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[1-[3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)C(=O)NC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations