Geometry & MOs

Info

ID:

103094

PubChem CID:

50070409

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

720.320224

ΔHf, kcal/mol:

-229.68

Dipole, Da:

10.5

IP(EA), eV:

 -8.74(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(diethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(4-fluorophenyl)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)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC

DOS

IR

Vibrations