Geometry & MOs

Info

ID:	56619
PubChem CID:	17487221
Reduced:	OSN4C16H20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	375.01699
ΔH_f, kcal/mol:	22.73
Dipole, Da:	4.78
IP(EA), eV:	-7.97(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,3-dithiolan-2-yl)phenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)NC2=CC=C(C=C2)N3CCCCCC3

DOS

IR

Vibrations