Geometry & MOs

Info

ID:	68774
PubChem CID:	46509062
Reduced:	SN3O5H15C19 (1)
Stoich.:	AB3C5D15E19 (1)
Weight, g/mol:	412.076075
ΔH_f, kcal/mol:	-78.71
Dipole, Da:	5.74
IP(EA), eV:	-9.16(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)CN3C(=O)OC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations