Geometry & MOs

Info

ID:

110820

PubChem CID:

50341165

Reduced:

BrO5N6C30H39 (1)

Stoich.:

AB5C6D30E39 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-198.44

Dipole, Da:

6.0

IP(EA), eV:

 -9.07(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[5-chloro-2-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)NC)C

DOS

IR

Vibrations