Geometry & MOs

Info

ID:

103216

PubChem CID:

50070559

Reduced:

ClF2O5N6C40H47 (1)

Stoich.:

AB2C5D6E40F47 (1)

Weight, g/mol:

738.310803

ΔHf, kcal/mol:

-300.07

Dipole, Da:

14.31

IP(EA), eV:

 -8.89(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations