Geometry & MOs

Info

ID:

110275

PubChem CID:

50318576

Reduced:

ClFO5N6C41H44 (1)

Stoich.:

ABC5D6E41F44 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-212.11

Dipole, Da:

8.97

IP(EA), eV:

 -8.71(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-carbamoylanilino)-1-oxopropan-2-yl]-1-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)Cl)C)F

DOS

IR

Vibrations