Geometry & MOs

Info

ID:	30668
PubChem CID:	841648
Reduced:	OSN2C19H20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	347.068825
ΔH_f, kcal/mol:	15.0
Dipole, Da:	4.0
IP(EA), eV:	-7.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-nitropyrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)NC(=O)C2=CSC3=CC=CC=C32

DOS

IR

Vibrations