Geometry & MOs

Info

ID:

94389

PubChem CID:

50000611

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

508.26857

ΔHf, kcal/mol:

-233.47

Dipole, Da:

3.99

IP(EA), eV:

 -8.97(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)NC)Cl

DOS

IR

Vibrations