Geometry & MOs

Info

ID:

100996

PubChem CID:

50064252

Reduced:

ClFO5N6C42H52 (1)

Stoich.:

ABC5D6E42F52 (1)

Weight, g/mol:

734.335875

ΔHf, kcal/mol:

-256.33

Dipole, Da:

5.86

IP(EA), eV:

 -8.58(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(propylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)C)F)C)Cl

DOS

IR

Vibrations