Geometry & MOs

Info

ID:

111682

PubChem CID:

50377708

Reduced:

FN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-273.69

Dipole, Da:

8.84

IP(EA), eV:

 -8.49(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC(=CC=C4)F)C(=O)NC5CCCCC5

DOS

IR

Vibrations