Geometry & MOs

Info

ID:

96405

PubChem CID:

50020636

Reduced:

BrO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

684.26348

ΔHf, kcal/mol:

-200.72

Dipole, Da:

4.14

IP(EA), eV:

 -9.01(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-bromo-3-(propylcarbamoyl)anilino]-2-oxoethyl]-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)NCC(=O)NC3=CC(=C(C=C3)Br)C(=O)N(C)C

DOS

IR

Vibrations