Geometry & MOs

Info

ID:

119745

PubChem CID:

50699681

Reduced:

ClN6O6C40H49 (1)

Stoich.:

AB6C6D40E49 (1)

Weight, g/mol:

748.315139

ΔHf, kcal/mol:

-229.31

Dipole, Da:

11.32

IP(EA), eV:

 -8.55(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=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)N5CCOCC5)Cl)C

DOS

IR

Vibrations