Geometry & MOs

Info

ID:

119773

PubChem CID:

50700421

Reduced:

ClF2O4N5C35H38 (1)

Stoich.:

AB2C4D5E35F38 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-223.73

Dipole, Da:

5.44

IP(EA), eV:

 -8.89(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations