Geometry & MOs

Info

ID:

120179

PubChem CID:

50716809

Reduced:

ClN6O6C36H43 (1)

Stoich.:

AB6C6D36E43 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-225.17

Dipole, Da:

10.77

IP(EA), eV:

 -8.65(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]-N-[1-[3-[(2-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)NC(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations