Geometry & MOs

Info

ID:

106766

PubChem CID:

50175549

Reduced:

BrFO4N5C32H41 (1)

Stoich.:

ABC4D5E32F41 (1)

Weight, g/mol:

621.352634

ΔHf, kcal/mol:

-213.23

Dipole, Da:

3.32

IP(EA), eV:

 -8.99(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(2,4-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations