Geometry & MOs

Info

ID:

91682

PubChem CID:

49978271

Reduced:

FN6O6C37H49 (1)

Stoich.:

AB6C6D37E49 (1)

Weight, g/mol:

704.313389

ΔHf, kcal/mol:

-302.05

Dipole, Da:

10.56

IP(EA), eV:

 -8.74(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-[(4-fluorobenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5CCCCC5)F

DOS

IR

Vibrations