Geometry & MOs

Info

ID:

95339

PubChem CID:

50008479

Reduced:

BrFO4N5C25H29 (1)

Stoich.:

ABC4D5E25F29 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-180.7

Dipole, Da:

8.11

IP(EA), eV:

 -9.01(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations