Geometry & MOs

Info

ID:

111634

PubChem CID:

50376008

Reduced:

O4N5C36H51 (1)

Stoich.:

A4B5C36D51 (1)

Weight, g/mol:

754.421797

ΔHf, kcal/mol:

-204.72

Dipole, Da:

1.74

IP(EA), eV:

 -8.49(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4

DOS

IR

Vibrations