Geometry & MOs

Info

ID:

97077

PubChem CID:

50027438

Reduced:

FN6O6C44H51 (1)

Stoich.:

AB6C6D44E51 (1)

Weight, g/mol:

657.256289

ΔHf, kcal/mol:

-247.57

Dipole, Da:

8.59

IP(EA), eV:

 -8.34(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[(2-fluorobenzoyl)amino]-4-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)OC)C

DOS

IR

Vibrations