Geometry & MOs

Info

ID:	68583
PubChem CID:	46508696
Reduced:	SN3O8C21H23 (1)
Stoich.:	AB3C8D21E23 (1)
Weight, g/mol:	460.079446
ΔH_f, kcal/mol:	-271.22
Dipole, Da:	4.72
IP(EA), eV:	-9.59(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(2-chlorophenyl)-4-(3-methoxypropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=C(C(NC(=O)N2)C3=CC=CO3)C(=O)OCC

DOS

IR

Vibrations