Geometry & MOs

Info

ID:

115246

PubChem CID:

50515150

Reduced:

F2O5N6C38H38 (1)

Stoich.:

A2B5C6D38E38 (1)

Weight, g/mol:

632.228074

ΔHf, kcal/mol:

-223.75

Dipole, Da:

8.05

IP(EA), eV:

 -8.8(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-carbamoyl-4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4F)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations