Geometry & MOs

Info

ID:	342379
PubChem CID:	127265202
Reduced:	BrSN2H7C10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	88.23
Dipole, Da:	2.46
IP(EA), eV:	-9.4(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-sulfonamide

Drug info:

PubChemData

Smile

C1=CN=CN=C1C=CC2=C(C=CS2)Br

DOS

IR

Vibrations