Geometry & MOs

Info

ID:

91509

PubChem CID:

49976575

Reduced:

FN6O6C38H45 (1)

Stoich.:

AB6C6D38E45 (1)

Weight, g/mol:

620.332233

ΔHf, kcal/mol:

-256.17

Dipole, Da:

12.85

IP(EA), eV:

 -8.78(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-carbamoyl-2-methylanilino)-3-methyl-1-oxobutan-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)C)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations