Geometry & MOs

Info

ID:	81740
PubChem CID:	49855075
Reduced:	NO5C20H31 (1)
Stoich.:	AB5C20D31 (1)
Weight, g/mol:	292.10342
ΔH_f, kcal/mol:	-233.19
Dipole, Da:	6.7
IP(EA), eV:	-10.09(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

13-thia-1,5-diazapentacyclo[10.8.1.02,7.08,21.015,20]henicosa-2(7),8(21),9,11,15,17,19-heptaene

Drug info:

PubChemData

Smile

C=CC(=O)CCCCCCCCCCC(=O)CC(=O)N[C@H]1CCOC1=O

DOS

IR

Vibrations