Geometry & MOs

Info

ID:

97170

PubChem CID:

50028328

Reduced:

ClO4F5N5C33H33 (1)

Stoich.:

AB4C5D5E33F33 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-380.14

Dipole, Da:

3.27

IP(EA), eV:

 -9.25(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations