Geometry & MOs

Info

ID:

119260

PubChem CID:

50675277

Reduced:

ClN4O5C29H37 (1)

Stoich.:

AB4C5D29E37 (1)

Weight, g/mol:

688.277611

ΔHf, kcal/mol:

-192.73

Dipole, Da:

8.47

IP(EA), eV:

 -8.38(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-benzamido-4-methylanilino)-1-oxopropan-2-yl]-1-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations