Geometry & MOs

Info

ID:

120189

PubChem CID:

50717463

Reduced:

ClN6O6C41H45 (1)

Stoich.:

AB6C6D41E45 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-186.13

Dipole, Da:

7.9

IP(EA), eV:

 -8.31(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-benzamido-2-fluoroanilino)-1-oxopropan-2-yl]-1-[2-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations