Geometry & MOs

Info

ID:	55327
PubChem CID:	17390056
Reduced:	NSO3H13C17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	261.022642
ΔH_f, kcal/mol:	-32.8
Dipole, Da:	5.9
IP(EA), eV:	-8.84(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-3,5-dimethylbenzenesulfonyl chloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=CSC(=N3)C(=O)O

DOS

IR

Vibrations