Geometry & MOs

Info

ID:	401508
PubChem CID:	135051486
Reduced:	N2O2C11H11 (1)
Stoich.:	A2B2C11D11 (1)
Weight, g/mol:	319.994379
ΔH_f, kcal/mol:	1.99
Dipole, Da:	2.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.840685
Charge, e:	0

Chem-info

IUPAC name:

(5-ethyl-4-methyl-3-phenyl-1lambda4,2-dithiacyclopenta-3,5-dien-1-yl) perchlorate

Drug info:

PubChemData

Smile

C/C(=C(\C)/OC(=O)C1=CC=CC=C1)/[N+]#N

DOS

IR

Vibrations