Geometry & MOs

Info

ID:

107071

PubChem CID:

50187894

Reduced:

BrFO3N4C28H34 (1)

Stoich.:

ABC3D4E28F34 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-155.74

Dipole, Da:

4.17

IP(EA), eV:

 -8.94(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(piperidine-1-carbonyl)anilino]-3-oxopropyl]-1-[1-[4-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Br)F

DOS

IR

Vibrations