Geometry & MOs

Info

ID:

115502

PubChem CID:

50525255

Reduced:

ClFN6O6C34H38 (1)

Stoich.:

ABC6D6E34F38 (1)

Weight, g/mol:

660.259374

ΔHf, kcal/mol:

-261.42

Dipole, Da:

8.03

IP(EA), eV:

 -8.64(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(methylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC(=CC=C2)OC)F)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations