Geometry & MOs

Info

ID:	271082
PubChem CID:	103643003
Reduced:	ClSN2O4C11H15 (1)
Stoich.:	ABC2D4E11F15 (1)
Weight, g/mol:	273.151098
ΔH_f, kcal/mol:	-83.63
Dipole, Da:	9.75
IP(EA), eV:	-9.54(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-tert-butylpyrazol-4-yl)methyl]-2-ethylsulfonylethanamine

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNCC1=C(C=CC(=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations