Geometry & MOs

Info

ID:

110933

PubChem CID:

50344726

Reduced:

BrO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

684.26348

ΔHf, kcal/mol:

-213.57

Dipole, Da:

3.07

IP(EA), eV:

 -8.96(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-bromo-3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]-1-[1-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)N)C(=O)NCC(C)C

DOS

IR

Vibrations