Geometry & MOs

Info

ID:

96064

PubChem CID:

50018691

Reduced:

F2O5N6C44H50 (1)

Stoich.:

A2B5C6D44E50 (1)

Weight, g/mol:

720.320224

ΔHf, kcal/mol:

-265.64

Dipole, Da:

6.29

IP(EA), eV:

 -9.06(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(dimethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations