Geometry & MOs

Info

ID:	270117
PubChem CID:	103629211
Reduced:	NO2S2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	273.057198
ΔH_f, kcal/mol:	-37.45
Dipole, Da:	4.51
IP(EA), eV:	-8.7(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one

Drug info:

PubChemData

Smile

C=CCSCCNS(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations