Geometry & MOs

Info

ID:	32642
PubChem CID:	7847023
Reduced:	SN2O4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	412.109293
ΔH_f, kcal/mol:	-105.89
Dipole, Da:	7.83
IP(EA), eV:	-9.24(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[3-(1,3-benzothiazol-2-yl)propanoyloxy]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)CCC2=NC3=CC=CC=C3S2

DOS

IR

Vibrations