Geometry & MOs

Info

ID:	398232
PubChem CID:	135032389
Reduced:	NSO2C8H9 (1)
Stoich.:	ABC2D8E9 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-12.11
Dipole, Da:	5.69
IP(EA), eV:	-8.59(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,16-tetraene

Drug info:

PubChemData

Smile

C1COC1S(=O)C2=CC=CC=N2

DOS

IR

Vibrations