Geometry & MOs

Info

ID:	55715
PubChem CID:	17396035
Reduced:	N4O5C23H24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	342.086056
ΔH_f, kcal/mol:	-99.44
Dipole, Da:	3.2
IP(EA), eV:	-8.74(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylsulfanylmethyl)-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-4-one

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=O)N1)CC(=O)N2C(CC(=N2)C3=CC=C(C=C3)OC)C4=CC=CO4)C5CC5

DOS

IR

Vibrations