Geometry & MOs

Info

ID:	69314
PubChem CID:	46530646
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	382.092204
ΔH_f, kcal/mol:	-109.41
Dipole, Da:	1.34
IP(EA), eV:	-8.36(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)CC1=CC(=CC=C1)C(=O)NC2=CC=C(C=C2)NC(=O)NCC=C

DOS

IR

Vibrations