Geometry & MOs

Info

ID:

104744

PubChem CID:

50105235

Reduced:

FO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

557.281361

ΔHf, kcal/mol:

-255.11

Dipole, Da:

10.21

IP(EA), eV:

 -8.79(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,6-difluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C4CCCCC4)F

DOS

IR

Vibrations