Geometry & MOs

Info

ID:

109356

PubChem CID:

50281507

Reduced:

ClFO4N5C29H29 (1)

Stoich.:

ABC4D5E29F29 (1)

Weight, g/mol:

647.267461

ΔHf, kcal/mol:

-163.37

Dipole, Da:

5.56

IP(EA), eV:

 -9.1(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-1-[1-[1-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations