Geometry & MOs

Info

ID:

98219

PubChem CID:

50040841

Reduced:

FN6O6C35H41 (1)

Stoich.:

AB6C6D35E41 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-255.95

Dipole, Da:

10.47

IP(EA), eV:

 -8.7(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC)OC

DOS

IR

Vibrations