Geometry & MOs

Info

ID:	32586
PubChem CID:	7846928
Reduced:	SN3O3H15C19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	380.119464
ΔH_f, kcal/mol:	-4.18
Dipole, Da:	3.89
IP(EA), eV:	-9.27(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)CCC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations