Geometry & MOs

Info

ID:

91348

PubChem CID:

49975228

Reduced:

FN6O7C36H41 (1)

Stoich.:

AB6C7D36E41 (1)

Weight, g/mol:

684.327148

ΔHf, kcal/mol:

-278.57

Dipole, Da:

5.59

IP(EA), eV:

 -8.45(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-methoxy-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)OC)NC(=O)C5=CC=CC=C5F

DOS

IR

Vibrations