Geometry & MOs

Info

ID:

113837

PubChem CID:

50460928

Reduced:

BrFO4N5C32H35 (1)

Stoich.:

ABC4D5E32F35 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-166.41

Dipole, Da:

5.52

IP(EA), eV:

 -8.91(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-fluoro-3-[(2-methylbenzoyl)amino]phenyl]-1-[2-[3-[(4-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)NC4=CC(=C(C=C4)Br)C(=O)N(C)C)C

DOS

IR

Vibrations