Geometry & MOs

Info

ID:

112787

PubChem CID:

50419738

Reduced:

ClF2O5N6C37H41 (1)

Stoich.:

AB2C5D6E37F41 (1)

Weight, g/mol:

682.360946

ΔHf, kcal/mol:

-278.4

Dipole, Da:

8.82

IP(EA), eV:

 -8.74(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(propan-2-ylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)NC(=O)C4CCCCC4)Cl)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations