Geometry & MOs

Info

ID:	121581
PubChem CID:	50774072
Reduced:	OSN5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	383.049526
ΔH_f, kcal/mol:	50.1
Dipole, Da:	3.91
IP(EA), eV:	-8.56(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2CCN(CC2)C3=NC=NC4=C3SC5=C4C=CC=N5

DOS

IR

Vibrations