Geometry & MOs

Info

ID:

100130

PubChem CID:

50058638

Reduced:

FN6O6C44H51 (1)

Stoich.:

AB6C6D44E51 (1)

Weight, g/mol:

716.369761

ΔHf, kcal/mol:

-253.04

Dipole, Da:

13.21

IP(EA), eV:

 -8.37(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-methoxy-3-(propanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)C)C)OC

DOS

IR

Vibrations