Geometry & MOs

Info

ID:

96702

PubChem CID:

50023685

Reduced:

FSO4N7C31H36 (1)

Stoich.:

ABC4D7E31F36 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-144.13

Dipole, Da:

12.13

IP(EA), eV:

 -8.85(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-1-[1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-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)N4CCCC4C(=O)NC5=NN=C(S5)C

DOS

IR

Vibrations