Geometry & MOs

Info

ID:	176872
PubChem CID:	76106819
Reduced:	S2N6O9C19H22 (1)
Stoich.:	A2B6C9D19E22 (1)
Weight, g/mol:	228.118401
ΔH_f, kcal/mol:	-254.61
Dipole, Da:	5.05
IP(EA), eV:	-9.68(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,10-dioxa-2-thiatricyclo[9.4.0.03,8]pentadecane

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)ON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O

DOS

IR

Vibrations