Geometry & MOs

Info

ID:

105568

PubChem CID:

50126456

Reduced:

ClFO5N6C37H44 (1)

Stoich.:

ABC5D6E37F44 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-250.24

Dipole, Da:

9.73

IP(EA), eV:

 -8.6(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-carbamoyl-2-methylanilino)-3-oxopropyl]-1-[1-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations