Geometry & MOs

Info

ID:	144245
PubChem CID:	53336980
Reduced:	SO3N5C22H31 (1)
Stoich.:	AB3C5D22E31 (1)
Weight, g/mol:	408.125612
ΔH_f, kcal/mol:	-56.99
Dipole, Da:	5.83
IP(EA), eV:	-8.72(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3,4-dimethoxyphenyl)-5-methyltriazol-4-yl]-4-(4-methoxyphenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3C)C)C(=O)NCC4CC4

DOS

IR

Vibrations