Geometry & MOs

Info

ID:	125819
PubChem CID:	50940559
Reduced:	O5C26H42 (1)
Stoich.:	A5B26C42 (1)
Weight, g/mol:	332.130697
ΔH_f, kcal/mol:	-252.31
Dipole, Da:	4.31
IP(EA), eV:	-8.65(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-tert-butyl-4-methyl-N'-(2-methylbenzoyl)thiadiazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCC1=CC(=C(C=C1)O)OC)O

DOS

IR

Vibrations