Geometry & MOs

Info

ID:

110576

PubChem CID:

50331117

Reduced:

FN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

726.390497

ΔHf, kcal/mol:

-269.23

Dipole, Da:

4.92

IP(EA), eV:

 -8.84(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5

DOS

IR

Vibrations