Geometry & MOs

Info

ID:	130993
PubChem CID:	51140527
Reduced:	ON4S4C13H14 (1)
Stoich.:	AB4C4D13E14 (1)
Weight, g/mol:	298.98569
ΔH_f, kcal/mol:	36.02
Dipole, Da:	2.08
IP(EA), eV:	-8.64(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-5-[(3-nitrophenyl)methylsulfanyl]-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)C(C)SC3=NN=C(S3)SC)C

DOS

IR

Vibrations