Geometry & MOs

Info

ID:	192268
PubChem CID:	78250690
Reduced:	S2O3N4C26H32 (1)
Stoich.:	A2B3C4D26E32 (1)
Weight, g/mol:	422.13608
ΔH_f, kcal/mol:	-64.22
Dipole, Da:	1.85
IP(EA), eV:	-8.7(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-phenyl-11-(2-phenylethyl)-5-sulfanylidene-8-thia-4,6-diaza-11-azoniatricyclo[7.4.0.02,7]tridec-1(9)-en-3-one

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=NNC2N1C3=C(C4=C(S3)CC(CC4)C(C)(C)C)C(=O)N2CC5=CC=CC=C5

DOS

IR

Vibrations