Geometry & MOs

Info

ID:	121565
PubChem CID:	50773602
Reduced:	ClSN2O2H19C20 (1)
Stoich.:	ABC2D2E19F20 (1)
Weight, g/mol:	393.078327
ΔH_f, kcal/mol:	-30.02
Dipole, Da:	3.14
IP(EA), eV:	-8.78(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-(2-methyl-4-oxo-[1]benzothiolo[3,2-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC=C(O2)C3=CC=C(C=C3)Cl)C

DOS

IR

Vibrations