Geometry & MOs

Info

ID:

105727

PubChem CID:

50139298

Reduced:

BrO5N6C36H49 (1)

Stoich.:

AB5C6D36E49 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-221.97

Dipole, Da:

4.58

IP(EA), eV:

 -9.19(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(propylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N4CCCC(C4)C)C)Br

DOS

IR

Vibrations