Geometry & MOs

Info

ID:

113529

PubChem CID:

50449728

Reduced:

N2O2C13H14 (3)

Stoich.:

A2B2C13D14 (3)

Weight, g/mol:

708.307161

ΔHf, kcal/mol:

-172.05

Dipole, Da:

9.43

IP(EA), eV:

 -8.75(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methoxyanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)OC)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations