Geometry & MOs

Info

ID:	193522
PubChem CID:	78404025
Reduced:	BrSF3N4O4C27H28 (1)
Stoich.:	ABC3D4E4F27G28 (1)
Weight, g/mol:	219.056325
ΔH_f, kcal/mol:	-247.43
Dipole, Da:	6.3
IP(EA), eV:	-8.59(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1,3a,4,5-tetrahydropyrrolo[2,3-c]pyrazole

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=NN4C(CC(N=C4C3Br)C5=CC=C(C=C5)OC)C(F)(F)F

DOS

IR

Vibrations