Geometry & MOs

Info

ID:

91448

PubChem CID:

49975937

Reduced:

FN3O3C18H20 (2)

Stoich.:

AB3C3D18E20 (2)

Weight, g/mol:

672.307161

ΔHf, kcal/mol:

-288.89

Dipole, Da:

8.14

IP(EA), eV:

 -8.91(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations