Geometry & MOs

Info

ID:	69129
PubChem CID:	46519444
Reduced:	NOSH3C5 (3)
Stoich.:	ABCD3E5 (3)
Weight, g/mol:	382.092204
ΔH_f, kcal/mol:	-21.14
Dipole, Da:	4.53
IP(EA), eV:	-9.19(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CSC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC(=O)N4C=CSC4=N3

DOS

IR

Vibrations