Geometry & MOs

Info

ID:

91698

PubChem CID:

49978338

Reduced:

FN3O3C19H22 (2)

Stoich.:

AB3C3D19E22 (2)

Weight, g/mol:

700.338461

ΔHf, kcal/mol:

-304.78

Dipole, Da:

13.25

IP(EA), eV:

 -8.85(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2-fluorophenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]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)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations