Geometry & MOs

Info

ID:

109210

PubChem CID:

50276765

Reduced:

F3O5N6C40H41 (1)

Stoich.:

A3B5C6D40E41 (1)

Weight, g/mol:

679.316998

ΔHf, kcal/mol:

-283.63

Dipole, Da:

12.63

IP(EA), eV:

 -8.75(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methoxy-4-[(4-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations