Geometry & MOs

Info

ID:

112827

PubChem CID:

50421771

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

658.327897

ΔHf, kcal/mol:

-155.79

Dipole, Da:

7.4

IP(EA), eV:

 -8.8(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-oxo-3-[3-(propylcarbamoyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)NC)C)C

DOS

IR

Vibrations