Geometry & MOs

Info

ID:	44221
PubChem CID:	10502052
Reduced:	SiO4C24H36 (1)
Stoich.:	AB4C24D36 (1)
Weight, g/mol:	416.107375
ΔH_f, kcal/mol:	-218.26
Dipole, Da:	2.97
IP(EA), eV:	-8.93(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-2-methylphenyl)-3-[(5-methyl-4-nitroso-2-propan-2-ylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

C[C@H](CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)[C@@H]([C@H](C)C(CO)O)O

DOS

IR

Vibrations