Geometry & MOs

Info

ID:	32613
PubChem CID:	7846975
Reduced:	SN3O4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	393.103479
ΔH_f, kcal/mol:	-164.48
Dipole, Da:	3.06
IP(EA), eV:	-9.24(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations