Geometry & MOs

Info

ID:	406488
PubChem CID:	135077808
Reduced:	ClON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	352.028456
ΔH_f, kcal/mol:	-67.16
Dipole, Da:	4.97
IP(EA), eV:	-9.44(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-2,5-diphenyl-1lambda4-thia-3,4-diazacyclopenta-1,4-dien-1-yl) perchlorate

Drug info:

PubChemData

Smile

CC(C)C(=O)N[C@H]1[C@@H](CC2=CC=CC=C12)[NH3+].[Cl-]

DOS

IR

Vibrations