Geometry & MOs

Info

ID:

111254

PubChem CID:

50360011

Reduced:

F2N5O5C28H33 (1)

Stoich.:

A2B5C5D28E33 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-265.95

Dipole, Da:

2.7

IP(EA), eV:

 -9.07(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)F)F)C(=O)N4CCOCC4

DOS

IR

Vibrations