Geometry & MOs

Info

ID:

97843

PubChem CID:

50035792

Reduced:

F2N5O5C35H41 (1)

Stoich.:

A2B5C5D35E41 (1)

Weight, g/mol:

744.381075

ΔHf, kcal/mol:

-256.34

Dipole, Da:

7.56

IP(EA), eV:

 -8.54(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations