Geometry & MOs

Info

ID:	25316
PubChem CID:	622847
Reduced:	NSO4C12H15 (1)
Stoich.:	ABC4D12E15 (1)
Weight, g/mol:	435.0599
ΔH_f, kcal/mol:	-55.32
Dipole, Da:	6.12
IP(EA), eV:	-8.76(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6'-methoxy-5-methyl-8'-nitro-3'-phenylspiro[1,3-benzodithiole-2,2'-chromene]

Drug info:

PubChemData

Smile

CC(=CC1=CC(=C(C=C1OC)SC)OC)[N+](=O)[O-]

DOS

IR

Vibrations