Geometry & MOs

Info

ID:

114424

PubChem CID:

50482308

Reduced:

ClFO4N5C31H33 (1)

Stoich.:

ABC4D5E31F33 (1)

Weight, g/mol:

573.275133

ΔHf, kcal/mol:

-175.92

Dipole, Da:

1.78

IP(EA), eV:

 -9.22(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-(2-methylanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)Cl)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations