Geometry & MOs

Info

ID:	201000
PubChem CID:	79472322
Reduced:	N2O2S2C15H20 (1)
Stoich.:	A2B2C2D15E20 (1)
Weight, g/mol:	265.088498
ΔH_f, kcal/mol:	-43.2
Dipole, Da:	6.12
IP(EA), eV:	-8.65(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)butanoate

Drug info:

PubChemData

Smile

CC(CC1=CC=CS1)N(C)C2=C(C=C(C=C2)S(=O)(=O)C)N

DOS

IR

Vibrations