Geometry & MOs

Info

ID:

118711

PubChem CID:

50655245

Reduced:

BrClO5N6C32H42 (1)

Stoich.:

ABC5D6E32F42 (1)

Weight, g/mol:

700.290674

ΔHf, kcal/mol:

-216.01

Dipole, Da:

4.11

IP(EA), eV:

 -9.17(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)NCCC

DOS

IR

Vibrations