Geometry & MOs

Info

ID:	48241
PubChem CID:	10538186
Reduced:	LiNO2C14H22 (1)
Stoich.:	ABC2D14E22 (1)
Weight, g/mol:	243.0354
ΔH_f, kcal/mol:	11.72
Dipole, Da:	34.78
IP(EA), eV:	-5.07(-2.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-oxa-3-thia-9-azatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),4,11,13,15-pentaen-10-one

Drug info:

PubChemData

Smile

[Li+].CCCCC1C=CN([C-]=C1)C(=O)OC(C)(C)C

DOS

IR

Vibrations