Geometry & MOs

Info

ID:

91365

PubChem CID:

49975402

Reduced:

ClN5O5C33H36 (1)

Stoich.:

AB5C5D33E36 (1)

Weight, g/mol:

549.295119

ΔHf, kcal/mol:

-157.3

Dipole, Da:

9.49

IP(EA), eV:

 -8.89(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,5-dimethylanilino)-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)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5)Cl

DOS

IR

Vibrations