Geometry & MOs

Info

ID:

110538

PubChem CID:

50329035

Reduced:

FN3O3C21H22 (2)

Stoich.:

AB3C3D21E22 (2)

Weight, g/mol:

690.410483

ΔHf, kcal/mol:

-263.99

Dipole, Da:

10.78

IP(EA), eV:

 -8.46(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-methoxy-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)OC)NC(=O)C6=CC=CC=C6F

DOS

IR

Vibrations