Geometry & MOs

Info

ID:

119724

PubChem CID:

50698191

Reduced:

Cl2N5O5C31H39 (1)

Stoich.:

A2B5C5D31E39 (1)

Weight, g/mol:

656.272525

ΔHf, kcal/mol:

-204.81

Dipole, Da:

5.38

IP(EA), eV:

 -9.07(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-acetamido-4-methoxyanilino)-3-oxopropyl]-1-[1-[2-chloro-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations