Geometry & MOs

Info

ID:

114506

PubChem CID:

50485460

Reduced:

FO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-218.46

Dipole, Da:

2.7

IP(EA), eV:

 -9.24(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3)C(=O)N4CCCCC4)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations