Geometry & MOs

Info

ID:

93509

PubChem CID:

49995100

Reduced:

F2O4N5C37H43 (1)

Stoich.:

A2B4C5D37E43 (1)

Weight, g/mol:

686.415569

ΔHf, kcal/mol:

-227.66

Dipole, Da:

6.26

IP(EA), eV:

 -8.82(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[2-[4-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5F)F

DOS

IR

Vibrations