Geometry & MOs

Info

ID:

96523

PubChem CID:

50021874

Reduced:

FN6O6C42H53 (1)

Stoich.:

AB6C6D42E53 (1)

Weight, g/mol:

712.338461

ΔHf, kcal/mol:

-283.6

Dipole, Da:

6.36

IP(EA), eV:

 -8.86(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-(morpholine-4-carbonyl)phenyl]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)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)OC

DOS

IR

Vibrations