Geometry & MOs

Info

ID:

112443

PubChem CID:

50407407

Reduced:

BrO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-203.01

Dipole, Da:

9.97

IP(EA), eV:

 -9.02(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-carbamoyl-5-chloroanilino)-2-oxoethyl]-1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Br)C(=O)NC)C

DOS

IR

Vibrations