Geometry & MOs

Info

ID:	131716
PubChem CID:	51250824
Reduced:	OSN4C15H28 (1)
Stoich.:	ABC4D15E28 (1)
Weight, g/mol:	319.099063
ΔH_f, kcal/mol:	-54.03
Dipole, Da:	1.25
IP(EA), eV:	-8.8(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-1,2-oxazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CCCCCCC(C)NC(=O)CN1C(=NNC1=S)CCC

DOS

IR

Vibrations