Geometry & MOs

Info

ID:

110203

PubChem CID:

50315791

Reduced:

F2N6O6C41H44 (1)

Stoich.:

A2B6C6D41E44 (1)

Weight, g/mol:

750.354111

ΔHf, kcal/mol:

-270.36

Dipole, Da:

11.45

IP(EA), eV:

 -8.76(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=C(C=C5)F)OC

DOS

IR

Vibrations