Geometry & MOs

Info

ID:	67913
PubChem CID:	46507412
Reduced:	SO2N5H15C21 (1)
Stoich.:	AB2C5D15E21 (1)
Weight, g/mol:	422.09681
ΔH_f, kcal/mol:	88.61
Dipole, Da:	5.62
IP(EA), eV:	-9.02(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-5-methyl-4-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CNC3=C2NC(=NC3=O)SCC4=NC(=NO4)C5=CC=CC=C5

DOS

IR

Vibrations