Geometry & MOs

Info

ID:

120578

PubChem CID:

50735357

Reduced:

N6O6C31H42 (1)

Stoich.:

A6B6C31D42 (1)

Weight, g/mol:

602.265296

ΔHf, kcal/mol:

-246.36

Dipole, Da:

6.73

IP(EA), eV:

 -8.31(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]-N-[1-[4-[(3-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3C(=O)N)OC

DOS

IR

Vibrations