Geometry & MOs

Info

ID:

115459

PubChem CID:

50523453

Reduced:

ClFO5N6C41H44 (1)

Stoich.:

ABC5D6E41F44 (1)

Weight, g/mol:

720.320224

ΔHf, kcal/mol:

-205.05

Dipole, Da:

3.72

IP(EA), eV:

 -9.0(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(propylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC4=CC=CC=C4)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations