Geometry & MOs

Info

ID:

98853

PubChem CID:

50046684

Reduced:

FO5N6C39H49 (1)

Stoich.:

AB5C6D39E49 (1)

Weight, g/mol:

768.34469

ΔHf, kcal/mol:

-232.57

Dipole, Da:

9.36

IP(EA), eV:

 -9.22(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC(=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)C)C)C

DOS

IR

Vibrations