Geometry & MOs

Info

ID:

111528

PubChem CID:

50371481

Reduced:

F2N5O5C33H35 (1)

Stoich.:

A2B5C5D33E35 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-244.23

Dipole, Da:

5.88

IP(EA), eV:

 -8.96(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(2-methylpropylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)F)F)C(=O)N5CCOCC5

DOS

IR

Vibrations