Geometry & MOs

Info

ID:

91354

PubChem CID:

49975258

Reduced:

ClN6O6C29H35 (1)

Stoich.:

AB6C6D29E35 (1)

Weight, g/mol:

668.332233

ΔHf, kcal/mol:

-231.02

Dipole, Da:

9.09

IP(EA), eV:

 -9.11(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-methyl-3-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]-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)NCC(=O)NC4=CC(=C(C=C4)C(=O)N)Cl

DOS

IR

Vibrations