Geometry & MOs

Info

ID:

95221

PubChem CID:

50007263

Reduced:

FO5N6C36H43 (1)

Stoich.:

AB5C6D36E43 (1)

Weight, g/mol:

623.368284

ΔHf, kcal/mol:

-230.62

Dipole, Da:

6.36

IP(EA), eV:

 -8.78(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-(2,5-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)C)F

DOS

IR

Vibrations