Geometry & MOs

Info

ID:

90451

PubChem CID:

49969819

Reduced:

BrO4N5C34H46 (1)

Stoich.:

AB4C5D34E46 (1)

Weight, g/mol:

633.352634

ΔHf, kcal/mol:

-184.27

Dipole, Da:

7.82

IP(EA), eV:

 -8.81(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Br)C

DOS

IR

Vibrations