Geometry & MOs

Info

ID:	38964
PubChem CID:	8138255
Reduced:	SN3O3H15C19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	14.83
Dipole, Da:	1.93
IP(EA), eV:	-9.39(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(C=C3)N=CS4

DOS

IR

Vibrations