Geometry & MOs

Info

ID:

109573

PubChem CID:

50288986

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

655.260626

ΔHf, kcal/mol:

-246.27

Dipole, Da:

7.54

IP(EA), eV:

 -8.69(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-fluorobenzoyl)amino]-3-methoxyphenyl]-1-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCCC5)C)C)F

DOS

IR

Vibrations