Geometry & MOs

Info

ID:	328332
PubChem CID:	126700733
Reduced:	BrSN2O3H15C17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	478.167477
ΔH_f, kcal/mol:	-40.52
Dipole, Da:	7.86
IP(EA), eV:	-9.07(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(2-amino-1,3-benzothiazol-6-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]oxy]-2-cyclopropylacetate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)C2=NC3=C4N2CCCOC4=CC(=C3)Br

DOS

IR

Vibrations