Geometry & MOs

Info

ID:	253366
PubChem CID:	103117986
Reduced:	OSN4C10H16 (1)
Stoich.:	ABC4D10E16 (1)
Weight, g/mol:	304.11063
ΔH_f, kcal/mol:	-1.58
Dipole, Da:	10.43
IP(EA), eV:	-8.28(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperazin-1-yl]ethanethioamide

Drug info:

PubChemData

Smile

CC(CC(=S)N)N(C)C(=O)C1=NN(C=C1)C

DOS

IR

Vibrations