Geometry & MOs

Info

ID:

103815

PubChem CID:

50074005

Reduced:

BrFO4N5C35H41 (1)

Stoich.:

ABC4D5E35F41 (1)

Weight, g/mol:

647.311912

ΔHf, kcal/mol:

-194.76

Dipole, Da:

7.46

IP(EA), eV:

 -8.84(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]-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)NC(C(C)C)C(=O)NC4=C(C=C(C(=C4)C)C)Br

DOS

IR

Vibrations