Geometry & MOs

Info

ID:	53297
PubChem CID:	14710174
Reduced:	O6C9H16 (1)
Stoich.:	A6B9C16 (1)
Weight, g/mol:	282.057532
ΔH_f, kcal/mol:	-261.88
Dipole, Da:	1.53
IP(EA), eV:	-10.3(1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-17-thia-8,12,13,15-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,13,15-heptaen-11-one

Drug info:

PubChemData

Smile

C1COC(O1)OCCCOC2OCCO2

DOS

IR

Vibrations