Geometry & MOs

Info

ID:	447625
PubChem CID:	135284309
Reduced:	S2F3N4O5C30H31 (1)
Stoich.:	A2B3C4D5E30F31 (1)
Weight, g/mol:	547.030841
ΔH_f, kcal/mol:	-251.34
Dipole, Da:	9.97
IP(EA), eV:	-8.69(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-chloro-4-[(2,4-dimethoxyphenyl)methyl-(1,2,4-thiadiazol-5-yl)sulfamoyl]phenyl]ethyl methanesulfonate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN(C2=NC=NS2)S(=O)(=O)C3=CC4=C(C=C3)[C@H](CCO4)NC(CCC(F)(F)F)C5=CC=CC=C5)OC

DOS

IR

Vibrations