Geometry & MOs

Info

ID:

107102

PubChem CID:

50189953

Reduced:

FN5O5C34H38 (1)

Stoich.:

AB5C5D34E38 (1)

Weight, g/mol:

629.301348

ΔHf, kcal/mol:

-200.0

Dipole, Da:

6.65

IP(EA), eV:

 -9.15(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(3-fluoro-4-methylphenyl)carbamoyl]phenyl]-1-[1-[2-methyl-4-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations