Geometry & MOs

Info

ID:	191009
PubChem CID:	78092917
Reduced:	NSO2C7H9 (2)
Stoich.:	ABC2D7E9 (2)
Weight, g/mol:	358.047956
ΔH_f, kcal/mol:	-48.59
Dipole, Da:	1.71
IP(EA), eV:	-9.18(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-4-(2-nitro-1-thiophen-2-ylethyl)-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=CC=CO2

DOS

IR

Vibrations