Geometry & MOs

Info

ID:	412620
PubChem CID:	135085517
Reduced:	O5C11H12 (1)
Stoich.:	A5B11C12 (1)
Weight, g/mol:	252.997969
ΔH_f, kcal/mol:	-192.4
Dipole, Da:	5.27
IP(EA), eV:	-10.33(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylsulfanyl-5-nitrophenyl)thiadiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)OC(=O)CC(CO)O

DOS

IR

Vibrations