Geometry & MOs

Info

ID:	195659
PubChem CID:	78719012
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	345.114713
ΔH_f, kcal/mol:	-94.93
Dipole, Da:	5.66
IP(EA), eV:	-8.62(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-ethylthiadiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)SC)C)CCC(=O)OCC(=O)N(C)C(C)C2=CC=CC=C2

DOS

IR

Vibrations