Geometry & MOs

Info

ID:	14094
PubChem CID:	403967
Reduced:	NO4S5H13C18 (1)
Stoich.:	AB4C5D13E18 (1)
Weight, g/mol:	466.944814
ΔH_f, kcal/mol:	-54.68
Dipole, Da:	3.64
IP(EA), eV:	-8.68(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3'-phenyliminospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,6'-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CSC2=C(C13SC=C(S3)C(=O)OC)SSC2=NC4=CC=CC=C4

DOS

IR

Vibrations