Geometry & MOs

Info

ID:	151095
PubChem CID:	53790793
Reduced:	O4C25H42 (1)
Stoich.:	A4B25C42 (1)
Weight, g/mol:	174.028541
ΔH_f, kcal/mol:	-208.54
Dipole, Da:	5.23
IP(EA), eV:	-9.24(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-5-propan-2-yl-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CC(CC=CCCC=C(C)CCC(C(=C)C)OC1CCCCO1)C(C)(C)C(=O)O

DOS

IR

Vibrations