Geometry & MOs

Info

ID:	56195
PubChem CID:	17422501
Reduced:	FNO4H14C20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	370.098728
ΔH_f, kcal/mol:	-87.24
Dipole, Da:	6.01
IP(EA), eV:	-9.34(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(4-oxo-6,7,8,9-tetrahydropyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]benzoate

Drug info:

PubChemData

Smile

CC1=C(ON=C1COC2=CC3=C(C=C2)C=CC(=O)O3)C4=CC=C(C=C4)F

DOS

IR

Vibrations