Geometry & MOs

Info

ID:

106701

PubChem CID:

50173039

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-229.89

Dipole, Da:

11.77

IP(EA), eV:

 -8.75(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations