Geometry & MOs

Info

ID:

115532

PubChem CID:

50526328

Reduced:

ClF2O5N6C34H37 (1)

Stoich.:

AB2C5D6E34F37 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-255.38

Dipole, Da:

10.51

IP(EA), eV:

 -8.86(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[5-(cyclopentylcarbamoyl)-2-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N(C)C)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations