Geometry & MOs

Info

ID:	314665
PubChem CID:	126622612
Reduced:	ClF2N2O6H33C35 (1)
Stoich.:	AB2C2D6E33F35 (1)
Weight, g/mol:	304.92321
ΔH_f, kcal/mol:	-254.73
Dipole, Da:	9.42
IP(EA), eV:	-8.59(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(azidomethyl)-3-iodo-2H-thieno[3,2-c]pyrazole

Drug info:

PubChemData

Smile

CC(=O)C1=CN(C2=C1C=C(C=C2)O[C@@H]3CO[C@H]4[C@@H]3OC[C@H]4OC)CC(=O)N5C[C@@H](C[C@H]5C6=CC=CC(=C6F)C7=CC=CC=C7Cl)F

DOS

IR

Vibrations