Geometry & MOs

Info

ID:

114766

PubChem CID:

50496276

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

621.275133

ΔHf, kcal/mol:

-235.64

Dipole, Da:

2.83

IP(EA), eV:

 -8.99(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(4-fluorophenyl)carbamoyl]phenyl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)N4CCCCC4)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations