Geometry & MOs

Info

ID:	84979
PubChem CID:	49871116
Reduced:	ClO4C13H17 (1)
Stoich.:	AB4C13D17 (1)
Weight, g/mol:	282.046299
ΔH_f, kcal/mol:	-162.39
Dipole, Da:	3.02
IP(EA), eV:	-8.63(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-methoxy-13-thia-10,17-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,11,14,16-heptaen-9-one

Drug info:

PubChemData

Smile

CC(C)OC1=C(C(=C(C=C1)CCl)C(=O)OC)OC

DOS

IR

Vibrations