Geometry & MOs

Info

ID:	45846
PubChem CID:	10518184
Reduced:	SN2O2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	298.109962
ΔH_f, kcal/mol:	23.94
Dipole, Da:	6.78
IP(EA), eV:	-8.6(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,7R)-4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-10-propan-2-ylidene-2,4,6-triazatricyclo[5.2.1.02,6]decane-3,5-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(SN=N2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations