Geometry & MOs

Info

ID:

102341

PubChem CID:

50066432

Reduced:

FSO3N4C29H31 (1)

Stoich.:

ABC3D4E29F31 (1)

Weight, g/mol:

644.312247

ΔHf, kcal/mol:

-114.24

Dipole, Da:

7.84

IP(EA), eV:

 -8.58(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-oxo-3-[3-(propylcarbamoyl)anilino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations