Geometry & MOs

Info

ID:	207976
PubChem CID:	80476297
Reduced:	BrO2S2N3H12C13 (1)
Stoich.:	AB2C2D3E12F13 (1)
Weight, g/mol:	222.093918
ΔH_f, kcal/mol:	-8.32
Dipole, Da:	7.9
IP(EA), eV:	-8.42(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-propylpyrazol-3-yl)-(1,3-thiazol-5-yl)methanamine

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N)C(=CN2)S(=O)(=O)NCC3=C(C=CS3)Br

DOS

IR

Vibrations