Geometry & MOs

Info

ID:	146183
PubChem CID:	53648795
Reduced:	NO3C18H20 (2)
Stoich.:	AB3C18D20 (2)
Weight, g/mol:	294.053041
ΔH_f, kcal/mol:	-147.99
Dipole, Da:	2.36
IP(EA), eV:	-7.88(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfonyl-5-hexylsulfanyl-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)NC3=C2CCCC3CC4=CC(=C(C=C4)OC)OC.CC1=N/C(=C\C2=CC(=C(C=C2)OC)OC)/C(=O)O1

DOS

IR

Vibrations