Geometry & MOs

Info

ID:

111667

PubChem CID:

50377272

Reduced:

ClN5O5C32H42 (1)

Stoich.:

AB5C5D32E42 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-213.67

Dipole, Da:

3.27

IP(EA), eV:

 -8.69(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-fluoro-5-[(2-fluorobenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)Cl)OC)C(=O)NC4CCCC4

DOS

IR

Vibrations