Geometry & MOs

Info

ID:

104321

PubChem CID:

50104022

Reduced:

F2O5N6C43H48 (1)

Stoich.:

A2B5C6D43E48 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-260.68

Dipole, Da:

3.19

IP(EA), eV:

 -8.8(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=C(C=C5)C)F

DOS

IR

Vibrations