Geometry & MOs

Info

ID:	396841
PubChem CID:	135029304
Reduced:	NSO4H15C16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	278.069142
ΔH_f, kcal/mol:	-45.58
Dipole, Da:	5.06
IP(EA), eV:	-9.07(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dioxa-12,20-diazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),9,14,16,18-heptaen-11-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2C(C(C3=CC=CC=C3S2)O)[N+](=O)[O-]

DOS

IR

Vibrations