Geometry & MOs

Info

ID:

93028

PubChem CID:

49991050

Reduced:

O4N5C37H45 (1)

Stoich.:

A4B5C37D45 (1)

Weight, g/mol:

655.353383

ΔHf, kcal/mol:

-146.12

Dipole, Da:

8.68

IP(EA), eV:

 -8.74(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(2-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=CC=C5)C

DOS

IR

Vibrations