Geometry & MOs

Info

ID:

111211

PubChem CID:

50357494

Reduced:

BrO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

668.345296

ΔHf, kcal/mol:

-166.03

Dipole, Da:

9.09

IP(EA), eV:

 -8.68(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCCCC4)Br

DOS

IR

Vibrations