Geometry & MOs

Info

ID:

113725

PubChem CID:

50456059

Reduced:

F2O5N6C37H44 (1)

Stoich.:

A2B5C6D37E44 (1)

Weight, g/mol:

718.365425

ΔHf, kcal/mol:

-259.67

Dipole, Da:

11.64

IP(EA), eV:

 -8.85(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(butan-2-ylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)N(C)C)C(=O)NC4=C(C=CC=C4F)F

DOS

IR

Vibrations