Geometry & MOs

Info

ID:	192317
PubChem CID:	78256476
Reduced:	SCl2N5C15H17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	508.144823
ΔH_f, kcal/mol:	83.12
Dipole, Da:	6.45
IP(EA), eV:	-8.68(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-oxo-2-piperidin-1-ylethylidene)-3H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CCC(C)C(C1=NN=C2N1NC(=CS2)C3=C(C=C(C=C3)Cl)Cl)N

DOS

IR

Vibrations