Geometry & MOs

Info

ID:

114336

PubChem CID:

50479593

Reduced:

BrFO4N5C36H43 (1)

Stoich.:

ABC4D5E36F43 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-190.81

Dipole, Da:

7.65

IP(EA), eV:

 -9.06(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC(=CC=C4)F)C)Br

DOS

IR

Vibrations