Geometry & MOs

Info

ID:	68770
PubChem CID:	46509055
Reduced:	S2O3N4H20C23 (1)
Stoich.:	A2B3C4D20E23 (1)
Weight, g/mol:	277.017557
ΔH_f, kcal/mol:	47.46
Dipole, Da:	5.27
IP(EA), eV:	-9.04(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-chloro-5-sulfamoylbenzoate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)CSC3=NN=C(N3CC4=CC=CO4)C5=CC(=CC=C5)OC

DOS

IR

Vibrations