Geometry & MOs

Info

ID:

100225

PubChem CID:

50059229

Reduced:

F2O5N6C41H50 (1)

Stoich.:

A2B5C6D41E50 (1)

Weight, g/mol:

710.279503

ΔHf, kcal/mol:

-286.43

Dipole, Da:

10.99

IP(EA), eV:

 -8.98(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5CCCCC5

DOS

IR

Vibrations