Geometry & MOs

Info

ID:

104730

PubChem CID:

50105176

Reduced:

BrO5N6C29H37 (1)

Stoich.:

AB5C6D29E37 (1)

Weight, g/mol:

564.306018

ΔHf, kcal/mol:

-187.0

Dipole, Da:

6.42

IP(EA), eV:

 -8.83(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-acetamido-4-methylanilino)-3-oxopropyl]-1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Br)C(=O)NC

DOS

IR

Vibrations