Geometry & MOs

Info

ID:

112565

PubChem CID:

50411762

Reduced:

BrO5N6C29H37 (1)

Stoich.:

AB5C6D29E37 (1)

Weight, g/mol:

613.22637

ΔHf, kcal/mol:

-197.3

Dipole, Da:

7.06

IP(EA), eV:

 -9.06(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)N)C(=O)NC

DOS

IR

Vibrations