Geometry & MOs

Info

ID:	437566
PubChem CID:	135226611
Reduced:	N2S2O3C25H26 (1)
Stoich.:	A2B2C3D25E26 (1)
Weight, g/mol:	360.129634
ΔH_f, kcal/mol:	-11.91
Dipole, Da:	5.36
IP(EA), eV:	-8.54(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-3,6-dimethyl-2-methylidene-6-(8-prop-1-ynyldibenzothiophen-2-yl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

C[C@]1(CS(=O)(=O)C(C(=N1)N)(C)C)C2=CC3=C(C=C2)SC4=C3C=C(C=C4)C#CC5(COC5)C

DOS

IR

Vibrations