Geometry & MOs

Info

ID:

95344

PubChem CID:

50008526

Reduced:

BrO4N5C27H34 (1)

Stoich.:

AB4C5D27E34 (1)

Weight, g/mol:

523.279469

ΔHf, kcal/mol:

-156.6

Dipole, Da:

8.24

IP(EA), eV:

 -8.92(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations