Geometry & MOs

Info

ID:

110976

PubChem CID:

50346722

Reduced:

N5O5C33H43 (1)

Stoich.:

A5B5C33D43 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-192.6

Dipole, Da:

6.42

IP(EA), eV:

 -8.62(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=CC=C4)OC)C(=O)N5CCCC5

DOS

IR

Vibrations