Geometry & MOs

Info

ID:	284625
PubChem CID:	104056264
Reduced:	ClSN2O2C14H23 (1)
Stoich.:	ABC2D2E14F23 (1)
Weight, g/mol:	314.060425
ΔH_f, kcal/mol:	-87.96
Dipole, Da:	6.64
IP(EA), eV:	-9.44(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-2-chloro-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC(C)CN(CC)S(=O)(=O)C1=C(C=C(C=C1)CN)Cl

DOS

IR

Vibrations