Geometry & MOs

Info

ID:

108755

PubChem CID:

50257247

Reduced:

BrO5N6C31H33 (1)

Stoich.:

AB5C6D31E33 (1)

Weight, g/mol:

676.20088

ΔHf, kcal/mol:

-145.44

Dipole, Da:

3.17

IP(EA), eV:

 -8.7(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-bromo-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Br)C(=O)N

DOS

IR

Vibrations