Geometry & MOs

Info

ID:

113814

PubChem CID:

50459247

Reduced:

FN2O2C13H13 (3)

Stoich.:

AB2C2D13E13 (3)

Weight, g/mol:

599.290783

ΔHf, kcal/mol:

-313.41

Dipole, Da:

4.4

IP(EA), eV:

 -8.32(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC(=CC=C4)F)OC)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations