Geometry & MOs

Info

ID:

91304

PubChem CID:

49974984

Reduced:

BrN6O6C32H41 (1)

Stoich.:

AB6C6D32E41 (1)

Weight, g/mol:

598.230661

ΔHf, kcal/mol:

-238.83

Dipole, Da:

3.76

IP(EA), eV:

 -9.16(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-carbamoyl-5-chloroanilino)-2-oxoethyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C)Br

DOS

IR

Vibrations