Geometry & MOs

Info

ID:

91529

PubChem CID:

49976668

Reduced:

FN6O6C39H47 (1)

Stoich.:

AB6C6D39E47 (1)

Weight, g/mol:

648.363533

ΔHf, kcal/mol:

-265.06

Dipole, Da:

13.16

IP(EA), eV:

 -9.02(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-methyl-5-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]-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=C(C=CC(=C4)C(=O)NC5=CC(=CC=C5)F)C

DOS

IR

Vibrations