Geometry & MOs

Info

ID:

103482

PubChem CID:

50071598

Reduced:

FO5N6C40H41 (1)

Stoich.:

AB5C6D40E41 (1)

Weight, g/mol:

740.406147

ΔHf, kcal/mol:

-176.07

Dipole, Da:

9.97

IP(EA), eV:

 -8.71(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)NC6=CC=CC=C6

DOS

IR

Vibrations