Geometry & MOs

Info

ID:	191008
PubChem CID:	78092916
Reduced:	N2S2O3C20H22 (1)
Stoich.:	A2B2C3D20E22 (1)
Weight, g/mol:	342.070799
ΔH_f, kcal/mol:	-1.54
Dipole, Da:	5.68
IP(EA), eV:	-9.08(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-4-[1-(furan-2-yl)-2-nitroethyl]-4-propan-2-yl-1,3-thiazol-5-one

Drug info:

PubChemData

Smile

CCSC1=NC(C(=O)S1)(C(C)C)C(C[N+](=O)[O-])C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations