Geometry & MOs

Info

ID:

104936

PubChem CID:

50106005

Reduced:

BrF2O4N5C35H40 (1)

Stoich.:

AB2C4D5E35F40 (1)

Weight, g/mol:

647.328311

ΔHf, kcal/mol:

-234.45

Dipole, Da:

13.07

IP(EA), eV:

 -8.83(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-(2,5-dimethylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Br)C

DOS

IR

Vibrations