Geometry & MOs

Info

ID:

110041

PubChem CID:

50306683

Reduced:

O5N6C33H38 (1)

Stoich.:

A5B6C33D38 (1)

Weight, g/mol:

584.274718

ΔHf, kcal/mol:

-167.4

Dipole, Da:

6.59

IP(EA), eV:

 -8.38(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N

DOS

IR

Vibrations