Geometry & MOs

Info

ID:	57838
PubChem CID:	24277660
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	290.072513
ΔH_f, kcal/mol:	-47.62
Dipole, Da:	1.97
IP(EA), eV:	-8.17(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16,16-dimethyl-3,6,17-trioxa-14-thia-12-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2(7),8,11(15),12-pentaen-13-amine

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)C3=C(C(O2)(C)C)SC(=N3)N

DOS

IR

Vibrations