Geometry & MOs

Info

ID:	43344
PubChem CID:	10321157
Reduced:	Si2O5C22H42 (1)
Stoich.:	A2B5C22D42 (1)
Weight, g/mol:	442.047809
ΔH_f, kcal/mol:	-316.21
Dipole, Da:	2.49
IP(EA), eV:	-8.75(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-chlorophenyl)-6-(4-methylsulfonylphenyl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine

Drug info:

PubChemData

Smile

CCOC(=C=C(CCC(=O)OC)[C@@H](C[C@@H](C)CC=C)O[Si](C)(C)C)O[Si](C)(C)C

DOS

IR

Vibrations