Geometry & MOs

Info

ID:

113830

PubChem CID:

50460256

Reduced:

F4O5N6H38C39 (1)

Stoich.:

A4B5C6D38E39 (1)

Weight, g/mol:

617.276883

ΔHf, kcal/mol:

-319.85

Dipole, Da:

1.36

IP(EA), eV:

 -9.14(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(2-methylpropylcarbamoyl)phenyl]-1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)NC4=CC(=C(C=C4)F)F)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations