Geometry & MOs

Info

ID:

120244

PubChem CID:

50719117

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

680.228074

ΔHf, kcal/mol:

-228.28

Dipole, Da:

8.26

IP(EA), eV:

 -9.05(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[5-chloro-2-(phenylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3C(=O)NC4=C(C=C(C=C4)F)C

DOS

IR

Vibrations