Geometry & MOs

Info

ID:	121566
PubChem CID:	50773697
Reduced:	SN3O4H15C20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	451.03691
ΔH_f, kcal/mol:	-75.46
Dipole, Da:	2.31
IP(EA), eV:	-8.55(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C(=O)N1CC(=O)NC3=CC4=C(C=C3)OCO4)SC5=CC=CC=C52

DOS

IR

Vibrations