Geometry & MOs

Info

ID:

117509

PubChem CID:

50605639

Reduced:

ClF2O4N5H26C28 (1)

Stoich.:

AB2C4D5E26F28 (1)

Weight, g/mol:

692.288924

ΔHf, kcal/mol:

-204.23

Dipole, Da:

5.31

IP(EA), eV:

 -9.13(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC=CC=C2C(=O)NC3=CC(=C(C=C3)F)F)CC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations