Geometry & MOs

Info

ID:	253361
PubChem CID:	103117947
Reduced:	OSN5C10H11 (1)
Stoich.:	ABC5D10E11 (1)
Weight, g/mol:	226.088832
ΔH_f, kcal/mol:	54.1
Dipole, Da:	1.97
IP(EA), eV:	-8.93(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-1-sulfanylidenepropan-2-yl)-N,1-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=S)N)C(=O)C1=C2C=NC=CN2N=C1

DOS

IR

Vibrations