Geometry & MOs

Info

ID:

110104

PubChem CID:

50309746

Reduced:

ClO5N6C26H31 (1)

Stoich.:

AB5C6D26E31 (1)

Weight, g/mol:

552.269633

ΔHf, kcal/mol:

-197.85

Dipole, Da:

4.13

IP(EA), eV:

 -8.82(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-acetamido-3-methoxyanilino)-2-oxoethyl]-1-[1-(3-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)N)C(=O)N

DOS

IR

Vibrations