Geometry & MOs

Info

ID:

112442

PubChem CID:

50407394

Reduced:

O5N6C36H50 (1)

Stoich.:

A5B6C36D50 (1)

Weight, g/mol:

656.23218

ΔHf, kcal/mol:

-222.53

Dipole, Da:

8.46

IP(EA), eV:

 -8.89(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-bromo-3-(methylcarbamoyl)anilino]-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=C(C=C(C=C3)C(=O)NC4CCCC4)C)C

DOS

IR

Vibrations