Geometry & MOs

Info

ID:

115600

PubChem CID:

50528234

Reduced:

ClFO4N5C31H33 (1)

Stoich.:

ABC4D5E31F33 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-155.46

Dipole, Da:

3.01

IP(EA), eV:

 -9.04(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[3-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N(C)C)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations