Geometry & MOs

Info

ID:

114833

PubChem CID:

50498306

Reduced:

BrClO4N5C26H31 (1)

Stoich.:

ABC4D5E26F31 (1)

Weight, g/mol:

720.320224

ΔHf, kcal/mol:

-162.07

Dipole, Da:

4.46

IP(EA), eV:

 -8.87(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N

DOS

IR

Vibrations