Geometry & MOs

Info

ID:

112783

PubChem CID:

50419549

Reduced:

O5N6C36H52 (1)

Stoich.:

A5B6C36D52 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-232.78

Dipole, Da:

2.44

IP(EA), eV:

 -8.8(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=CC=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N(CC)CC

DOS

IR

Vibrations