Geometry & MOs

Info

ID:

96891

PubChem CID:

50025580

Reduced:

ClFO4N5C30H31 (1)

Stoich.:

ABC4D5E30F31 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-168.92

Dipole, Da:

5.69

IP(EA), eV:

 -9.22(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,4-dimethylanilino)-2-oxoethyl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations