Geometry & MOs

Info

ID:

96059

PubChem CID:

50018681

Reduced:

F2O5N6C44H50 (1)

Stoich.:

A2B5C6D44E50 (1)

Weight, g/mol:

784.356003

ΔHf, kcal/mol:

-247.88

Dipole, Da:

8.98

IP(EA), eV:

 -9.05(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations