Geometry & MOs

Info

ID:

100844

PubChem CID:

50064096

Reduced:

BrFO5N6C31H32 (1)

Stoich.:

ABC5D6E31F32 (1)

Weight, g/mol:

694.19146

ΔHf, kcal/mol:

-201.58

Dipole, Da:

6.83

IP(EA), eV:

 -8.99(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-bromo-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Br)C(=O)N

DOS

IR

Vibrations