Geometry & MOs

Info

ID:	28242
PubChem CID:	826480
Reduced:	SN6C10H14 (1)
Stoich.:	AB6C10D14 (1)
Weight, g/mol:	250.088832
ΔH_f, kcal/mol:	74.99
Dipole, Da:	3.47
IP(EA), eV:	-8.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-imino-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-amine

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=C(N=C3S2)NN)NN

DOS

IR

Vibrations