Geometry & MOs

Info

ID:

224054

PubChem CID:

85337632

Reduced:

SN5O6C24H41 (1)

Stoich.:

AB5C6D24E41 (1)

Weight, g/mol:

528.18484

ΔHf, kcal/mol:

-303.38

Dipole, Da:

6.57

IP(EA), eV:

 -9.16(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[4-[C-(4-bromophenyl)-N-hydroxycarbonimidoyl]-3-methylpiperazin-1-yl]-4-methylpiperidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CCCC(=O)N(C(=O)C(CC(C)N1C(=O)C(N(C1=O)C)(C)C)N)C(C(=O)NC)(C(C)(C)C)SC(=O)C

DOS

IR

Vibrations