Geometry & MOs

Info

ID:

96927

PubChem CID:

50025930

Reduced:

BrO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

619.336984

ΔHf, kcal/mol:

-159.23

Dipole, Da:

10.38

IP(EA), eV:

 -8.72(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)Br)C

DOS

IR

Vibrations