Geometry & MOs

Info

ID:	73318
PubChem CID:	48417415
Reduced:	ClO3N4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	335.047696
ΔH_f, kcal/mol:	-30.12
Dipole, Da:	10.27
IP(EA), eV:	-9.29(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[5-(1,3-benzothiazol-2-yl)furan-2-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Cl)C(=O)N2C(=C(C=N2)C#N)N)OCC

DOS

IR

Vibrations