Geometry & MOs

Info

ID:

111702

PubChem CID:

50378173

Reduced:

BrN6O6C34H45 (1)

Stoich.:

AB6C6D34E45 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-236.5

Dipole, Da:

8.0

IP(EA), eV:

 -8.8(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)N(C)C)C(=O)N4CCOCC4

DOS

IR

Vibrations