Geometry & MOs

Info

ID:

96297

PubChem CID:

50019647

Reduced:

BrO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

684.26348

ΔHf, kcal/mol:

-205.8

Dipole, Da:

10.4

IP(EA), eV:

 -9.08(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)N

DOS

IR

Vibrations