Geometry & MOs

Info

ID:	30831
PubChem CID:	841982
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	298.154209
ΔH_f, kcal/mol:	-73.6
Dipole, Da:	4.31
IP(EA), eV:	-9.83(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-6-amino-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)C(=O)NC2=NN=C(S2)C3CC3)C(=O)O

DOS

IR

Vibrations