Geometry & MOs

Info

ID:	135573
PubChem CID:	51894943
Reduced:	N2O3S3C16H20 (1)
Stoich.:	A2B3C3D16E20 (1)
Weight, g/mol:	230.104185
ΔH_f, kcal/mol:	-71.13
Dipole, Da:	8.21
IP(EA), eV:	-9.3(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(5-amino-3-cyclopropylpyrazol-1-yl)-6-methylpyrimidin-4-olate

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)CCNC(=O)C2=CSC=C2)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations