Geometry & MOs

Info

ID:

110021

PubChem CID:

50305900

Reduced:

FO5N6C39H49 (1)

Stoich.:

AB5C6D39E49 (1)

Weight, g/mol:

655.260626

ΔHf, kcal/mol:

-252.5

Dipole, Da:

10.9

IP(EA), eV:

 -8.41(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-fluoro-3-[(4-methoxybenzoyl)amino]phenyl]-1-[2-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)C)F)C

DOS

IR

Vibrations