Geometry & MOs

Info

ID:

110535

PubChem CID:

50328951

Reduced:

F3O3N4C26H31 (1)

Stoich.:

A3B3C4D26E31 (1)

Weight, g/mol:

728.369761

ΔHf, kcal/mol:

-260.7

Dipole, Da:

5.0

IP(EA), eV:

 -8.94(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-methoxy-4-(2-methylbutanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)N(C)C

DOS

IR

Vibrations