Geometry & MOs

Info

ID:

105410

PubChem CID:

50107137

Reduced:

BrO4N5C27H34 (1)

Stoich.:

AB4C5D27E34 (1)

Weight, g/mol:

577.251204

ΔHf, kcal/mol:

-155.05

Dipole, Da:

6.35

IP(EA), eV:

 -8.84(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-methyl-1-oxo-1-[2-(trifluoromethoxy)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations