Geometry & MOs

Info

ID:	199680
PubChem CID:	79282460
Reduced:	ClSN4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	311.105211
ΔH_f, kcal/mol:	78.55
Dipole, Da:	4.19
IP(EA), eV:	-8.67(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(2-amino-2-oxoethyl)-1-methyl-3-propylimidazo[4,5-c]pyrazol-5-yl]sulfanylacetic acid

Drug info:

PubChemData

Smile

CCCC1=NN(C2=C1N=C(N2CCC3=CC=CS3)CCl)C

DOS

IR

Vibrations