Geometry & MOs

Info

ID:	36446
PubChem CID:	8006976
Reduced:	ClS2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	386.058127
ΔH_f, kcal/mol:	-78.31
Dipole, Da:	3.29
IP(EA), eV:	-8.96(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-2-phenothiazin-10-ylethyl) pyrrolidine-1-carbodithioate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCC(=O)OC2=CC=C(C=C2)C3SCCS3)Cl

DOS

IR

Vibrations