Geometry & MOs

Info

ID:

120144

PubChem CID:

50715650

Reduced:

ClSO4N7C29H34 (1)

Stoich.:

ABC4D7E29F34 (1)

Weight, g/mol:

589.245582

ΔHf, kcal/mol:

-101.09

Dipole, Da:

9.27

IP(EA), eV:

 -8.76(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(S1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl

DOS

IR

Vibrations