Geometry & MOs

Info

ID:

117791

PubChem CID:

50616091

Reduced:

ClO4N5C26H32 (1)

Stoich.:

AB4C5D26E32 (1)

Weight, g/mol:

604.196774

ΔHf, kcal/mol:

-161.82

Dipole, Da:

7.51

IP(EA), eV:

 -8.96(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(4-acetamido-3-chloroanilino)-1-oxopropan-2-yl]-1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)C

DOS

IR

Vibrations