Geometry & MOs

Info

ID:

114659

PubChem CID:

50491267

Reduced:

FO5N6C39H41 (1)

Stoich.:

AB5C6D39E41 (1)

Weight, g/mol:

754.329039

ΔHf, kcal/mol:

-187.6

Dipole, Da:

8.51

IP(EA), eV:

 -8.37(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-[(4-methoxybenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5F)C)C

DOS

IR

Vibrations