Geometry & MOs

Info

ID:

117513

PubChem CID:

50605732

Reduced:

ClFO4N5H27C28 (1)

Stoich.:

ABC4D5E27F28 (1)

Weight, g/mol:

706.304574

ΔHf, kcal/mol:

-159.17

Dipole, Da:

7.54

IP(EA), eV:

 -9.09(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-[(4-fluoro-2-methylphenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3F)CC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations