Geometry & MOs

Info

ID:	53167
PubChem CID:	14709689
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	260.073182
ΔH_f, kcal/mol:	-33.37
Dipole, Da:	3.62
IP(EA), eV:	-8.91(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14,14-dimethyl-10-oxa-13-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene

Drug info:

PubChemData

Smile

CCO/C=N/C1=C(C2=C(O1)CSC(C2)(C)C)C#N

DOS

IR

Vibrations