Geometry & MOs

Info

ID:	125401
PubChem CID:	50922712
Reduced:	N4O9C34H60 (1)
Stoich.:	A4B9C34D60 (1)
Weight, g/mol:	312.012412
ΔH_f, kcal/mol:	-400.24
Dipole, Da:	8.6
IP(EA), eV:	-9.73(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-4-phenylpyrimido[2,1-b][1,3]benzothiazol-2-one

Drug info:

PubChemData

Smile

CC(CCC/C=C/C(=O)N(O)CCCCCNC(=O)CC(O)(C(=O)O)CC(=O)NCCCCCN(O)C(=O)/C=C/CCCC(C)C)C

DOS

IR

Vibrations