Geometry & MOs

Info

ID:

114074

PubChem CID:

50470708

Reduced:

FN6O6C41H45 (1)

Stoich.:

AB6C6D41E45 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-232.98

Dipole, Da:

6.51

IP(EA), eV:

 -8.62(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-fluoro-3-(2-methylpropanoylamino)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5OC)C

DOS

IR

Vibrations