Geometry & MOs

Info

ID:

108097

PubChem CID:

50229760

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

573.275133

ΔHf, kcal/mol:

-172.96

Dipole, Da:

6.01

IP(EA), eV:

 -8.47(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)NC(=O)C(C)C

DOS

IR

Vibrations