Geometry & MOs

Info

ID:

107229

PubChem CID:

50195767

Reduced:

BrO4N5C34H46 (1)

Stoich.:

AB4C5D34E46 (1)

Weight, g/mol:

648.363533

ΔHf, kcal/mol:

-183.74

Dipole, Da:

3.91

IP(EA), eV:

 -8.84(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-[3-(propanoylamino)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=CC=C4)Br)C

DOS

IR

Vibrations