Geometry & MOs

Info

ID:	32600
PubChem CID:	7846948
Reduced:	SN2O4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	413.048857
ΔH_f, kcal/mol:	-105.01
Dipole, Da:	1.83
IP(EA), eV:	-9.19(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations