Geometry & MOs

Info

ID:

104355

PubChem CID:

50104104

Reduced:

ClFO5N6C41H44 (1)

Stoich.:

ABC5D6E41F44 (1)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-202.78

Dipole, Da:

3.58

IP(EA), eV:

 -8.48(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[4-(2-methylbutanoylamino)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations