Geometry & MOs

Info

ID:

104576

PubChem CID:

50104648

Reduced:

SO4N7C28H41 (1)

Stoich.:

AB4C7D28E41 (1)

Weight, g/mol:

553.306433

ΔHf, kcal/mol:

-144.21

Dipole, Da:

8.73

IP(EA), eV:

 -9.01(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(2-fluoro-4-methylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=NN=C(S3)C(C)C

DOS

IR

Vibrations