Geometry & MOs

Info

ID:

120531

PubChem CID:

50731840

Reduced:

ClN5O5H34C35 (1)

Stoich.:

AB5C5D34E35 (1)

Weight, g/mol:

483.228183

ΔHf, kcal/mol:

-127.0

Dipole, Da:

6.26

IP(EA), eV:

 -8.67(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]-N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations