Geometry & MOs

Info

ID:

109748

PubChem CID:

50296098

Reduced:

FO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-224.07

Dipole, Da:

9.11

IP(EA), eV:

 -8.79(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-(2-methylbutanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)NC(=O)C

DOS

IR

Vibrations