Geometry & MOs

Info

ID:

115583

PubChem CID:

50527658

Reduced:

ClN5O5C32H36 (1)

Stoich.:

AB5C5D32E36 (1)

Weight, g/mol:

708.283839

ΔHf, kcal/mol:

-157.27

Dipole, Da:

10.02

IP(EA), eV:

 -8.77(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-fluoro-5-[(4-methoxybenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N(C)C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations