Geometry & MOs

Info

ID:

111799

PubChem CID:

50381613

Reduced:

FN5O5C30H38 (1)

Stoich.:

AB5C5D30E38 (1)

Weight, g/mol:

690.297739

ΔHf, kcal/mol:

-235.62

Dipole, Da:

6.07

IP(EA), eV:

 -8.91(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(2,6-difluorophenyl)carbamoyl]anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCOCC4)F

DOS

IR

Vibrations