Geometry & MOs

Info

ID:	120690
PubChem CID:	50740211
Reduced:	ClSN2O4H17C22 (1)
Stoich.:	ABC2D4E17F22 (1)
Weight, g/mol:	471.128649
ΔH_f, kcal/mol:	-78.14
Dipole, Da:	2.87
IP(EA), eV:	-8.9(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)NC(=O)CCNS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations