Geometry & MOs

Info

ID:

111698

PubChem CID:

50378169

Reduced:

F2N6O6C39H46 (1)

Stoich.:

A2B6C6D39E46 (1)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-313.92

Dipole, Da:

7.37

IP(EA), eV:

 -9.05(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2-fluorophenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5

DOS

IR

Vibrations