Geometry & MOs

Info

ID:

93035

PubChem CID:

49991067

Reduced:

F2O4N5C37H43 (1)

Stoich.:

A2B4C5D37E43 (1)

Weight, g/mol:

655.353383

ΔHf, kcal/mol:

-234.97

Dipole, Da:

9.51

IP(EA), eV:

 -8.91(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations