Geometry & MOs

Info

ID:

100150

PubChem CID:

50058777

Reduced:

FO5N6C44H51 (1)

Stoich.:

AB5C6D44E51 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-225.41

Dipole, Da:

7.73

IP(EA), eV:

 -8.6(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[4-(2-methylpropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)C)C)C

DOS

IR

Vibrations