Geometry & MOs

Info

ID:

112273

PubChem CID:

50400279

Reduced:

O5N6C28H36 (1)

Stoich.:

A5B6C28D36 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-191.37

Dipole, Da:

4.7

IP(EA), eV:

 -8.72(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(4-fluorophenyl)methylcarbamoyl]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(methylcarbamoyl)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=CC=CC=C3C(=O)NC)C(=O)NC

DOS

IR

Vibrations