Geometry & MOs

Info

ID:

107689

PubChem CID:

50214884

Reduced:

O5N6C36H52 (1)

Stoich.:

A5B6C36D52 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-232.27

Dipole, Da:

8.85

IP(EA), eV:

 -8.96(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-[(4-fluorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=C(C=C3)C(=O)NCC(C)C)C)C

DOS

IR

Vibrations