Geometry & MOs

Info

ID:

111918

PubChem CID:

50386750

Reduced:

ClO4N5C35H48 (1)

Stoich.:

AB4C5D35E48 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-195.49

Dipole, Da:

8.14

IP(EA), eV:

 -8.85(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-[(5-fluoro-2-methylphenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C(=CC=C4)Cl)C)C

DOS

IR

Vibrations