Geometry & MOs

Info

ID:

97599

PubChem CID:

50032902

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

722.22276

ΔHf, kcal/mol:

-246.78

Dipole, Da:

17.54

IP(EA), eV:

 -8.62(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-bromo-3-(methylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]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)NCCC(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCC5)C

DOS

IR

Vibrations