Geometry & MOs

Info

ID:

91409

PubChem CID:

49975746

Reduced:

N5O7C31H39 (1)

Stoich.:

A5B7C31D39 (1)

Weight, g/mol:

595.300599

ΔHf, kcal/mol:

-256.41

Dipole, Da:

6.25

IP(EA), eV:

 -8.4(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2,4-dimethoxyanilino)-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)NCCC(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations