Geometry & MOs

Info

ID:	342657
PubChem CID:	127265817
Reduced:	ClFSN3O4C8H9 (1)
Stoich.:	ABCD3E4F8G9 (1)
Weight, g/mol:	309.139865
ΔH_f, kcal/mol:	-163.03
Dipole, Da:	3.43
IP(EA), eV:	-9.98(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-methoxyphenyl)prop-2-enyl]-7-methyl-1,4-thiazepane 1,1-dioxide

Drug info:

PubChemData

Smile

CCOC(=O)NNS(=O)(=O)C1=CC(=C(N=C1)Cl)F

DOS

IR

Vibrations