Geometry & MOs

Info

ID:

91042

PubChem CID:

49972942

Reduced:

ClO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-233.12

Dipole, Da:

8.33

IP(EA), eV:

 -9.11(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C)C

DOS

IR

Vibrations