Geometry & MOs

Info

ID:

114029

PubChem CID:

50468463

Reduced:

FN6O6C38H47 (1)

Stoich.:

AB6C6D38E47 (1)

Weight, g/mol:

671.271939

ΔHf, kcal/mol:

-272.05

Dipole, Da:

8.53

IP(EA), eV:

 -8.9(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-1-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)NCC(C)C)OC)C

DOS

IR

Vibrations