Geometry & MOs

Info

ID:	181022
PubChem CID:	76715533
Reduced:	SN3O9C35H45 (1)
Stoich.:	AB3C9D35E45 (1)
Weight, g/mol:	497.198442
ΔH_f, kcal/mol:	-308.91
Dipole, Da:	2.24
IP(EA), eV:	-8.98(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-amino-18-(1,3-benzothiazol-2-yloxy)-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC1CCCCCC=CC2CC2(CC(=O)C3CC(CN3C1=O)OC4=NC5=CC=CC=C5O4)C(=O)NS(=O)(=O)C6CC6

DOS

IR

Vibrations