Geometry & MOs

Info

ID:

119364

PubChem CID:

50680856

Reduced:

ClN6O6C38H49 (1)

Stoich.:

AB6C6D38E49 (1)

Weight, g/mol:

704.288924

ΔHf, kcal/mol:

-257.49

Dipole, Da:

7.34

IP(EA), eV:

 -8.82(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-[(4-fluorophenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl)C(=O)NC6CCCCC6

DOS

IR

Vibrations