Geometry & MOs

Info

ID:

95989

PubChem CID:

50018174

Reduced:

BrFO3N4C31H34 (1)

Stoich.:

ABC3D4E31F34 (1)

Weight, g/mol:

675.298761

ΔHf, kcal/mol:

-132.48

Dipole, Da:

8.34

IP(EA), eV:

 -8.97(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(3-methylpiperidine-1-carbonyl)phenyl]-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)NC4=CC(=C(C=C4)Br)C

DOS

IR

Vibrations