Geometry & MOs

Info

ID:	308057
PubChem CID:	125316766
Reduced:	ClN2O2S2H9C13 (1)
Stoich.:	AB2C2D2E9F13 (1)
Weight, g/mol:	338.032975
ΔH_f, kcal/mol:	26.99
Dipole, Da:	3.95
IP(EA), eV:	-9.44(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-14,14-dimethyl-7-methylsulfanyl-10-oxa-13-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,8,11(16)-tetraene-5-thione

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C([C@@H](C(=S)N=C1)C#N)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations