Geometry & MOs

Info

ID:

99700

PubChem CID:

50054332

Reduced:

F2O5N6C43H54 (1)

Stoich.:

A2B5C6D43E54 (1)

Weight, g/mol:

738.310803

ΔHf, kcal/mol:

-298.91

Dipole, Da:

7.68

IP(EA), eV:

 -9.24(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(2-methylpropanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=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=CC(=C5)F)F)C)C

DOS

IR

Vibrations