Geometry & MOs

Info

ID:	30136
PubChem CID:	840245
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	309.096955
ΔH_f, kcal/mol:	-104.34
Dipole, Da:	5.5
IP(EA), eV:	-8.52(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1[C@H]2C3=CC=CC=C3O[C@@]1(N(C(=S)N2)C)C

DOS

IR

Vibrations